 Entering Gaussian System, Link 0=g16
 Input=24_bromohexahelicene_STD_wB97XD-augccpVDZr.in
 Output=24_bromohexahelicene_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/24_bromohexahelicene_STD/Gau-9637.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/24_bromohexahelicene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      9642.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                17-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=24_bromohexahelicene_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sat Jul 17 18:49:11 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "24_bromohexahelicene_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  H                                                -0.652976000000      0.269100000000      2.131879000000
  C                                                 0.077118000000     -0.515898000000      2.016272000000
  C                                                 1.147355000000     -0.563978000000      2.876118000000
  H                                                 1.246861000000      0.187890000000      3.648057000000
  C                                                 2.106939000000     -1.581823000000      2.761904000000
  H                                                 2.960929000000     -1.600767000000      3.426187000000
  C                                                 1.931710000000     -2.571919000000      1.827980000000
  H                                                 2.635140000000     -3.392515000000      1.758710000000
  C                                                 0.821522000000     -2.563238000000      0.958527000000
  C                                                 0.572868000000     -3.662981000000      0.087518000000
  C                                                -0.095253000000     -1.476611000000      0.997501000000
  C                                                -1.192690000000     -1.441893000000      0.051784000000
  C                                                -1.506727000000     -2.642536000000     -0.624596000000
  C                                                -0.579615000000     -3.726610000000     -0.622566000000
  C                                                -2.035643000000     -0.291576000000     -0.177518000000
  C                                                -3.356973000000     -0.534957000000     -0.639268000000
  C                                                -3.692510000000     -1.798848000000     -1.190783000000
  C                                                -2.761886000000     -2.786096000000     -1.271742000000
  C                                                -1.648813000000      1.086948000000      0.014540000000
  C                                                -2.666637000000      2.048502000000      0.208501000000
  C                                                -4.021272000000      1.709542000000     -0.047099000000
  C                                                -4.337685000000      0.487361000000     -0.549941000000
  C                                                -0.287114000000      1.573400000000     -0.077792000000
  C                                                -2.332234000000      3.372974000000      0.618459000000
  C                                                -1.040913000000      3.763875000000      0.750029000000
  C                                                 0.014713000000      2.893138000000      0.356628000000
  C                                                 1.350986000000      3.343894000000      0.332494000000
  C                                                 2.364583000000      2.558938000000     -0.156390000000
  C                                                 2.037889000000      1.298263000000     -0.674090000000
  C                                                 0.755945000000      0.815557000000     -0.650086000000
  H                                                 1.288903000000     -4.474696000000      0.057484000000
  H                                                -0.817831000000     -4.602750000000     -1.212841000000
  H                                                -4.691768000000     -1.942773000000     -1.582177000000
  H                                                -2.987639000000     -3.723712000000     -1.763936000000
  H                                                -4.781726000000      2.467364000000      0.093003000000
  H                                                -5.350606000000      0.258294000000     -0.856644000000
  H                                                -3.141496000000      4.061419000000      0.827867000000
  H                                                -0.794276000000      4.761695000000      1.090549000000
  H                                                 1.568632000000      4.342013000000      0.692153000000
  H                                                 3.386563000000      2.908506000000     -0.172645000000
  Br                                                3.423691000000      0.224870000000     -1.431958000000
  H                                                 0.548148000000     -0.150081000000     -1.077456000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     42 NQM=       42 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=           1          12          12           1          12           1          12           1          12          12
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000  12.0000000
 NucSpn=           1           0           0           1           0           1           0           1           0           0
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42
 IAtWgt=          79           1
 AtmWgt=  78.9183361   1.0078250
 NucSpn=           3           1
 AtZEff=  24.5000000   1.0000000
 NQMom=   31.3000000   0.0000000
 NMagM=    2.1063990   2.7928460
 AtZNuc=  35.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sat Jul 17 18:49:12 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -0.652976    0.269100    2.131879
      2          6           0        0.077118   -0.515898    2.016272
      3          6           0        1.147355   -0.563978    2.876118
      4          1           0        1.246861    0.187890    3.648057
      5          6           0        2.106939   -1.581823    2.761904
      6          1           0        2.960929   -1.600767    3.426187
      7          6           0        1.931710   -2.571919    1.827980
      8          1           0        2.635140   -3.392515    1.758710
      9          6           0        0.821522   -2.563238    0.958527
     10          6           0        0.572868   -3.662981    0.087518
     11          6           0       -0.095253   -1.476611    0.997501
     12          6           0       -1.192690   -1.441893    0.051784
     13          6           0       -1.506727   -2.642536   -0.624596
     14          6           0       -0.579615   -3.726610   -0.622566
     15          6           0       -2.035643   -0.291576   -0.177518
     16          6           0       -3.356973   -0.534957   -0.639268
     17          6           0       -3.692510   -1.798848   -1.190783
     18          6           0       -2.761886   -2.786096   -1.271742
     19          6           0       -1.648813    1.086948    0.014540
     20          6           0       -2.666637    2.048502    0.208501
     21          6           0       -4.021272    1.709542   -0.047099
     22          6           0       -4.337685    0.487361   -0.549941
     23          6           0       -0.287114    1.573400   -0.077792
     24          6           0       -2.332234    3.372974    0.618459
     25          6           0       -1.040913    3.763875    0.750029
     26          6           0        0.014713    2.893138    0.356628
     27          6           0        1.350986    3.343894    0.332494
     28          6           0        2.364583    2.558938   -0.156390
     29          6           0        2.037889    1.298263   -0.674090
     30          6           0        0.755945    0.815557   -0.650086
     31          1           0        1.288903   -4.474696    0.057484
     32          1           0       -0.817831   -4.602750   -1.212841
     33          1           0       -4.691768   -1.942773   -1.582177
     34          1           0       -2.987639   -3.723712   -1.763936
     35          1           0       -4.781726    2.467364    0.093003
     36          1           0       -5.350606    0.258294   -0.856644
     37          1           0       -3.141496    4.061419    0.827867
     38          1           0       -0.794276    4.761695    1.090549
     39          1           0        1.568632    4.342013    0.692153
     40          1           0        3.386563    2.908506   -0.172645
     41         35           0        3.423691    0.224870   -1.431958
     42          1           0        0.548148   -0.150081   -1.077456
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  C    1.078250   0.000000
     3  C    2.118750   1.373701   0.000000
     4  H    2.432030   2.127519   1.082172   0.000000
     5  C    3.382304   2.410879   1.403515   2.157982   0.000000
     6  H    4.269888   3.388387   2.160222   2.487277   1.082095
     7  C    3.852836   2.775282   2.397005   3.376129   1.372301
     8  H    4.935422   3.858075   3.385665   4.279749   2.136352
     9  C    3.401917   2.421686   2.789330   3.870813   2.422321
    10  C    4.598192   3.724244   4.208342   5.287808   3.719803
    11  C    2.155313   1.410878   2.430262   3.405478   2.823798
    12  C    2.746923   2.515769   3.771393   4.641205   4.272222
    13  C    4.099350   3.742371   4.859995   5.818000   5.064788
    14  C    4.853663   4.207545   5.022495   6.074335   4.824139
    15  C    2.749444   3.053980   4.419318   5.063570   5.240794
    16  C    3.954411   4.341110   5.713821   6.332373   6.520601
    17  C    4.955326   5.112852   6.441186   7.194365   7.021712
    18  C    5.036503   4.901508   6.117574   7.008500   6.436306
    19  C    2.478647   3.091098   4.328134   4.732407   5.364329
    20  C    3.304616   4.168018   5.337393   5.532440   6.518140
    21  C    4.262421   5.099694   6.358364   6.612324   7.501903
    22  C    4.562552   5.204081   6.552012   6.992855   7.535451
    23  C    2.591853   2.980425   3.918121   4.260830   4.873479
    24  C    3.839841   4.783533   5.718755   5.668611   6.989322
    25  C    3.778023   4.601067   5.295194   5.140053   6.521741
    26  C    3.237731   3.792076   4.425196   4.435094   5.494364
    27  C    4.087543   4.399528   4.667221   4.578664   5.544023
    28  C    4.425516   4.405403   4.519995   4.620064   5.072349
    29  C    4.021616   3.791286   4.106698   4.532064   4.483940
    30  C    3.165913   3.056639   3.806630   4.371384   4.383411
    31  H    5.529702   4.580104   4.822701   5.885040   4.043734
    32  H    5.911789   5.284928   6.073979   7.130324   5.786093
    33  H    5.915948   6.142237   7.474813   8.195266   8.076122
    34  H    6.047361   5.828617   6.972245   7.907040   7.143223
    35  H    5.102544   6.017240   7.217255   7.360589   8.424527
    36  H    5.567685   6.189766   7.538776   7.988984   8.490871
    37  H    4.719625   5.720456   6.632034   6.497336   7.945612
    38  H    4.613864   5.428561   5.943146   5.623769   7.172914
    39  H    4.857672   5.251400   5.386643   5.108585   6.298053
    40  H    5.347445   5.241214   5.134896   5.155370   5.514714
    41  Br   5.414989   4.861952   4.935940   5.526890   4.752521
    42  H    3.452281   3.150689   4.020088   4.788830   4.384108
                    6          7          8          9         10
     6  H    0.000000
     7  C    2.134641   0.000000
     8  H    2.469206   1.083047   0.000000
     9  C    3.404814   1.410156   2.148768   0.000000
    10  C    4.593721   2.462940   2.668145   1.424753   0.000000
    11  C    3.905660   2.449076   3.421282   1.422235   2.460624
    12  C    5.353913   3.767454   4.622857   2.477226   2.837552
    13  C    6.119974   4.224093   4.837115   2.816613   2.423454
    14  C    5.783343   3.693946   4.014567   2.411737   1.355170
    15  C    6.298127   4.996186   5.931359   3.822884   4.270942
    16  C    7.588133   6.181156   7.058424   4.911893   5.075077
    17  C    8.100858   6.429807   7.160896   5.057698   4.827266
    18  C    7.498410   5.628853   6.219266   4.226651   3.706359
    19  C    6.333472   5.431024   6.438942   4.507496   5.244332
    20  C    7.439097   6.716829   7.753493   5.830775   6.567349
    21  C    8.471894   7.568674   8.579030   6.536099   7.070237
    22  C    8.569693   7.370144   8.306840   6.180538   6.461054
    23  C    5.736113   5.073344   6.047530   4.406223   5.309104
    24  C    7.787105   7.415249   8.470349   6.730560   7.630608
    25  C    7.208047   7.081013   8.108312   6.598825   7.628984
    26  C    6.188503   5.975500   6.952834   5.548447   6.585336
    27  C    6.050828   6.129483   7.004452   5.963762   7.054203
    28  C    5.522104   5.518224   6.257843   5.464500   6.479353
    29  C    5.105747   4.609765   5.317765   4.365338   5.228793
    30  C    5.226526   4.358696   5.200148   3.742752   4.542563
    31  H    4.733212   2.677390   2.424384   2.164254   1.082815
    32  H    6.694140   4.575024   4.713575   3.400283   2.123239
    33  H    9.152292   7.476326   8.182106   6.102173   5.784755
    34  H    8.174945   6.199071   6.643370   4.823714   4.013574
    35  H    9.359942   8.571741   9.598055   7.579741   8.139585
    36  H    9.533119   8.261322   9.161911   7.025030   7.166267
    37  H    8.720734   8.410637   9.476134   7.720665   8.602963
    38  H    7.748399   7.858543   8.871216   7.502191   8.593621
    39  H    6.688054   7.016009   7.880222   6.950656   8.089318
    40  H    5.785006   6.012833   6.633071   6.148087   7.153251
    41  Br   5.210439   4.547003   4.887499   4.501027   5.054838
    42  H    5.311196   4.027543   4.786727   3.169115   3.701114
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.449122   0.000000
    13  C    2.445984   1.413383   0.000000
    14  C    2.814555   2.459785   1.426449   0.000000
    15  C    2.559315   1.444430   2.450846   3.757332   0.000000
    16  C    3.768891   2.446264   2.804553   4.230915   1.420690
    17  C    4.222876   2.814336   2.410399   3.705301   2.458411
    18  C    3.738335   2.453768   1.419448   2.463393   2.819111
    19  C    3.154615   2.569917   3.786520   4.971864   1.444594
    20  C    4.434068   3.792089   4.903599   6.196632   2.454206
    21  C    5.162982   4.235823   5.059350   6.459715   2.822092
    22  C    4.924428   3.738327   4.220918   5.646762   2.458625
    23  C    3.239696   3.151008   4.422733   5.335957   2.558405
    24  C    5.354085   4.980223   6.197823   7.417271   3.761711
    25  C    5.330873   5.254579   6.568765   7.629166   4.277442
    26  C    4.417863   4.510349   5.824197   6.718118   3.825137
    27  C    5.076525   5.427047   6.702230   7.391305   4.994598
    28  C    4.864968   5.357628   6.500891   6.956561   5.242887
    29  C    3.878716   4.297905   5.300627   5.665980   4.400890
    30  C    2.948409   3.063638   4.132643   4.734528   3.040070
    31  H    3.433371   3.918703   3.411391   2.124491   5.348488
    32  H    3.896213   3.425027   2.159409   1.082956   4.597954
    33  H    5.291502   3.894131   3.398693   4.583964   3.428486
    34  H    4.587035   3.424234   2.158735   2.664829   3.899048
    35  H    6.191614   5.307087   6.111599   7.518982   3.902038
    36  H    5.836650   4.583028   4.821210   6.220660   3.428199
    37  H    6.322828   5.889532   7.051605   8.325886   4.602421
    38  H    6.278037   6.302561   7.633606   8.662111   5.355794
    39  H    6.059549   6.441160   7.744391   8.452581   5.934414
    40  H    5.720274   6.320277   7.413677   7.743240   6.296099
    41  Br   4.602203   5.127432   5.760458   5.682937   5.625359
    42  H    2.545406   2.444275   3.261890   3.777610   2.739687
                   16         17         18         19         20
    16  C    0.000000
    17  C    1.419216   0.000000
    18  C    2.412836   1.359145   0.000000
    19  C    2.444555   3.735950   4.230121   0.000000
    20  C    2.805269   4.220487   5.057028   1.413567   0.000000
    21  C    2.414484   3.704713   4.826651   2.453566   1.419599
    22  C    1.419475   2.460423   3.704006   2.812148   2.409315
    23  C    3.766226   4.920115   5.153176   1.448925   2.443321
    24  C    4.231299   5.645481   6.456904   2.461239   1.426225
    25  C    5.076833   6.460774   7.067632   2.841905   2.424610
    26  C    4.910388   6.176788   6.528000   2.479247   2.815136
    27  C    6.176948   7.362406   7.554209   3.767452   4.223116
    28  C    6.522389   7.533170   7.489598   4.278238   5.070194
    29  C    5.697933   6.534259   6.330641   3.756413   4.845038
    30  C    4.328984   5.188084   5.072819   2.509630   3.737833
    31  H    6.131164   5.790752   4.585532   6.289984   7.630283
    32  H    4.829407   4.015736   2.661400   5.879597   7.048223
    33  H    2.157012   1.082784   2.128851   4.581298   4.820577
    34  H    3.401389   2.128485   1.082748   5.300743   6.108355
    35  H    3.402951   4.586400   5.791470   3.424449   2.159256
    36  H    2.156634   2.663224   4.017722   3.892159   3.397509
    37  H    4.829657   6.222644   7.172233   3.425942   2.158921
    38  H    6.133042   7.526285   8.149911   3.923238   3.412501
    39  H    7.058265   8.302725   8.568559   4.626722   4.840621
    40  H    7.586201   8.562071   8.452215   5.357996   6.125856
    41  Br   6.868995   7.402291   6.881348   5.344701   6.565732
    42  H    3.948431   4.551314   4.235876   2.747605   4.101499
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.358931   0.000000
    23  C    3.736765   4.220134   0.000000
    24  C    2.462280   3.703209   2.811716   0.000000
    25  C    3.706513   4.826404   2.460017   1.355590   0.000000
    26  C    4.225289   5.054997   1.421805   2.409763   1.423831
    27  C    5.628175   6.426465   2.446703   3.694419   2.464123
    28  C    6.443024   7.026145   2.830011   4.829403   3.724362
    29  C    6.105383   6.428135   2.415970   5.007303   4.193612
    30  C    4.897408   5.105175   1.410609   4.205525   3.725802
    31  H    8.151914   7.526584   6.251527   8.661019   8.589628
    32  H    7.173982   6.223989   6.301970   8.322214   8.596688
    33  H    4.018138   2.663914   5.833320   6.218309   7.164758
    34  H    5.791043   4.585798   6.180236   7.514540   8.134723
    35  H    1.082688   2.128605   4.585835   2.663878   4.013266
    36  H    2.128054   1.082842   5.289146   4.581237   5.783074
    37  H    2.659116   4.012868   3.893322   1.082919   2.122979
    38  H    4.585126   5.789377   3.433287   2.125260   1.082787
    39  H    6.222815   7.161405   3.420793   4.020102   2.673447
    40  H    7.505285   8.103598   3.909911   5.791909   4.602774
    41  Br   7.716836   7.815741   4.174012   6.873532   6.100681
    42  H    5.039785   4.955398   2.160411   4.856402   4.602594
                   26         27         28         29         30
    26  C    0.000000
    27  C    1.410457   0.000000
    28  C    2.428326   1.372058   0.000000
    29  C    2.774752   2.381103   1.401443   0.000000
    30  C    2.424715   2.777053   2.422979   1.370023   0.000000
    31  H    7.483183   7.823671   7.118626   5.867132   5.363905
    32  H    7.703551   8.380989   7.907820   6.577792   5.670231
    33  H    7.021108   8.254071   8.490604   7.524441   6.176954
    34  H    7.569254   8.553931   8.408459   7.187762   5.988326
    35  H    4.822511   6.199663   7.151246   6.961492   5.826358
    36  H    6.099269   7.473039   8.081303   7.463559   6.135403
    37  H    3.398323   4.576312   5.791642   6.059450   5.282993
    38  H    2.164396   2.680850   4.047887   4.809415   4.583121
    39  H    2.150925   1.083036   2.129065   3.369160   3.859787
    40  H    3.413171   2.142032   1.080234   2.159456   3.395370
    41  Br   4.683997   4.139771   2.862980   1.909708   2.842025
    42  H    3.406220   3.852320   3.389186   2.116538   1.076235
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.463423   0.000000
    33  H    6.698324   4.713733   0.000000
    34  H    4.708541   2.405095   2.471606   0.000000
    35  H    9.222039   8.210006   4.718435   6.707935   0.000000
    36  H    8.204871   6.656025   2.409390   4.718386   2.470920
    37  H    9.648170   9.199551   6.652968   8.206667   2.402372
    38  H    9.524588   9.643598   8.202670   9.217432   4.707315
    39  H    8.843948   9.451613   9.157714   9.583731   6.648333
    40  H    7.678855   8.670519   9.527913   9.335361   8.184505
    41  Br   5.372307   6.429964   8.401304   7.537019   8.641942
    42  H    4.532009   4.659452   5.561044   5.073843   6.052152
                   36         37         38         39         40
    36  H    0.000000
    37  H    4.709724   0.000000
    38  H    6.695694   2.463500   0.000000
    39  H    8.182383   4.720430   2.432732   0.000000
    40  H    9.155851   6.704162   4.744405   2.471374   0.000000
    41  Br   8.793201   7.932692   6.688577   4.990387   2.964650
    42  H    5.916995   5.914428   5.534247   4.934756   4.269688
                   41         42
    41  Br   0.000000
    42  H    2.921474   0.000000
 Stoichiometry    C26H15Br
 Framework group  C1[X(C26H15Br)]
 Deg. of freedom   120
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.28D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -0.652976    0.269100    2.131879
      2          6           0        0.077118   -0.515898    2.016272
      3          6           0        1.147355   -0.563978    2.876118
      4          1           0        1.246861    0.187890    3.648057
      5          6           0        2.106939   -1.581823    2.761904
      6          1           0        2.960929   -1.600767    3.426187
      7          6           0        1.931710   -2.571919    1.827980
      8          1           0        2.635140   -3.392515    1.758710
      9          6           0        0.821522   -2.563238    0.958527
     10          6           0        0.572868   -3.662981    0.087518
     11          6           0       -0.095253   -1.476611    0.997501
     12          6           0       -1.192690   -1.441893    0.051784
     13          6           0       -1.506727   -2.642536   -0.624596
     14          6           0       -0.579615   -3.726610   -0.622566
     15          6           0       -2.035643   -0.291576   -0.177518
     16          6           0       -3.356973   -0.534958   -0.639268
     17          6           0       -3.692510   -1.798849   -1.190783
     18          6           0       -2.761886   -2.786096   -1.271742
     19          6           0       -1.648813    1.086948    0.014540
     20          6           0       -2.666637    2.048502    0.208501
     21          6           0       -4.021272    1.709541   -0.047099
     22          6           0       -4.337685    0.487360   -0.549941
     23          6           0       -0.287114    1.573400   -0.077792
     24          6           0       -2.332235    3.372974    0.618459
     25          6           0       -1.040914    3.763875    0.750029
     26          6           0        0.014712    2.893138    0.356628
     27          6           0        1.350985    3.343894    0.332494
     28          6           0        2.364583    2.558938   -0.156390
     29          6           0        2.037889    1.298263   -0.674090
     30          6           0        0.755945    0.815557   -0.650086
     31          1           0        1.288904   -4.474696    0.057484
     32          1           0       -0.817830   -4.602750   -1.212841
     33          1           0       -4.691768   -1.942774   -1.582177
     34          1           0       -2.987639   -3.723712   -1.763936
     35          1           0       -4.781726    2.467363    0.093003
     36          1           0       -5.350606    0.258293   -0.856644
     37          1           0       -3.141497    4.061418    0.827867
     38          1           0       -0.794277    4.761695    1.090549
     39          1           0        1.568631    4.342013    0.692153
     40          1           0        3.386562    2.908507   -0.172645
     41         35           0        3.423691    0.224871   -1.431958
     42          1           0        0.548148   -0.150081   -1.077456
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.2187617           0.1676240           0.1216333
 Leave Link  202 at Sat Jul 17 18:49:12 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       1      4      6      8     31     32     33     34     35     36
 Centers:      37     38     39     40     42
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      5      7      9     10     11     12     13     14
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     29     30
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      41
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients=  1.9840000000D-04
     Exponent=  9.5938000000D+04 Coefficients=  1.5400000000D-03
     Exponent=  2.1833000000D+04 Coefficients=  8.0096000000D-03
     Exponent=  6.1819000000D+03 Coefficients=  3.2734100000D-02
     Exponent=  2.0157000000D+03 Coefficients=  1.0744800000D-01
     Exponent=  7.2710000000D+02 Coefficients=  2.6889460000D-01
     Exponent=  2.8328000000D+02 Coefficients=  4.2044110000D-01
     Exponent=  1.1591000000D+02 Coefficients=  2.8380410000D-01
     Exponent=  3.6124000000D+01 Coefficients=  3.1545500000D-02
     Exponent=  1.5532000000D+01 Coefficients= -7.4268000000D-03
     Exponent=  4.7857000000D+00 Coefficients=  2.7728000000D-03
     Exponent=  2.0817000000D+00 Coefficients= -1.3635000000D-03
     Exponent=  4.2028000000D-01 Coefficients=  3.8120000000D-04
     Exponent=  1.6069000000D-01 Coefficients= -1.6150000000D-04
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients= -6.2500000000D-05
     Exponent=  9.5938000000D+04 Coefficients= -4.8160000000D-04
     Exponent=  2.1833000000D+04 Coefficients= -2.5466000000D-03
     Exponent=  6.1819000000D+03 Coefficients= -1.0411200000D-02
     Exponent=  2.0157000000D+03 Coefficients= -3.6517900000D-02
     Exponent=  7.2710000000D+02 Coefficients= -9.9629500000D-02
     Exponent=  2.8328000000D+02 Coefficients= -2.1413100000D-01
     Exponent=  1.1591000000D+02 Coefficients= -1.8609110000D-01
     Exponent=  3.6124000000D+01 Coefficients=  4.6282610000D-01
     Exponent=  1.5532000000D+01 Coefficients=  6.4411410000D-01
     Exponent=  4.7857000000D+00 Coefficients=  8.2550200000D-02
     Exponent=  2.0817000000D+00 Coefficients= -1.4969400000D-02
     Exponent=  4.2028000000D-01 Coefficients=  3.5288000000D-03
     Exponent=  1.6069000000D-01 Coefficients= -1.4909000000D-03
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients=  2.4800000000D-05
     Exponent=  9.5938000000D+04 Coefficients=  1.9190000000D-04
     Exponent=  2.1833000000D+04 Coefficients=  1.0100000000D-03
     Exponent=  6.1819000000D+03 Coefficients=  4.1659000000D-03
     Exponent=  2.0157000000D+03 Coefficients=  1.4568300000D-02
     Exponent=  7.2710000000D+02 Coefficients=  4.0834500000D-02
     Exponent=  2.8328000000D+02 Coefficients=  8.9485900000D-02
     Exponent=  1.1591000000D+02 Coefficients=  8.7278600000D-02
     Exponent=  3.6124000000D+01 Coefficients= -2.9336440000D-01
     Exponent=  1.5532000000D+01 Coefficients= -5.6671090000D-01
     Exponent=  4.7857000000D+00 Coefficients=  5.1056580000D-01
     Exponent=  2.0817000000D+00 Coefficients=  7.4772140000D-01
     Exponent=  4.2028000000D-01 Coefficients=  4.2151200000D-02
     Exponent=  1.6069000000D-01 Coefficients= -1.0661200000D-02
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients= -7.6000000000D-06
     Exponent=  9.5938000000D+04 Coefficients= -5.8800000000D-05
     Exponent=  2.1833000000D+04 Coefficients= -3.0920000000D-04
     Exponent=  6.1819000000D+03 Coefficients= -1.2766000000D-03
     Exponent=  2.0157000000D+03 Coefficients= -4.4634000000D-03
     Exponent=  7.2710000000D+02 Coefficients= -1.2557500000D-02
     Exponent=  2.8328000000D+02 Coefficients= -2.7614500000D-02
     Exponent=  1.1591000000D+02 Coefficients= -2.7394500000D-02
     Exponent=  3.6124000000D+01 Coefficients=  9.6409400000D-02
     Exponent=  1.5532000000D+01 Coefficients=  1.9768710000D-01
     Exponent=  4.7857000000D+00 Coefficients= -2.2666930000D-01
     Exponent=  2.0817000000D+00 Coefficients= -5.2411650000D-01
     Exponent=  4.2028000000D-01 Coefficients=  6.8898650000D-01
     Exponent=  1.6069000000D-01 Coefficients=  5.3443310000D-01
 S 1 1.00
     Exponent=  1.6069000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.6946000000D-02 Coefficients=  1.0000000000D+00
 P 11 1.00
     Exponent=  4.3408000000D+03 Coefficients=  1.4448000000D-03
     Exponent=  1.0289000000D+03 Coefficients=  1.2128800000D-02
     Exponent=  3.3202000000D+02 Coefficients=  6.0807700000D-02
     Exponent=  1.2516000000D+02 Coefficients=  2.0093580000D-01
     Exponent=  5.1511000000D+01 Coefficients=  4.0474190000D-01
     Exponent=  2.2281000000D+01 Coefficients=  3.9571510000D-01
     Exponent=  9.3417000000D+00 Coefficients=  1.1022130000D-01
     Exponent=  4.0132000000D+00 Coefficients= -9.0900000000D-04
     Exponent=  1.7002000000D+00 Coefficients=  2.4832000000D-03
     Exponent=  4.7194000000D-01 Coefficients= -5.7440000000D-04
     Exponent=  1.4421000000D-01 Coefficients=  1.6910000000D-04
 P 11 1.00
     Exponent=  4.3408000000D+03 Coefficients= -5.8190000000D-04
     Exponent=  1.0289000000D+03 Coefficients= -4.9065000000D-03
     Exponent=  3.3202000000D+02 Coefficients= -2.5251400000D-02
     Exponent=  1.2516000000D+02 Coefficients= -8.6944500000D-02
     Exponent=  5.1511000000D+01 Coefficients= -1.8934220000D-01
     Exponent=  2.2281000000D+01 Coefficients= -1.7108820000D-01
     Exponent=  9.3417000000D+00 Coefficients=  2.3687550000D-01
     Exponent=  4.0132000000D+00 Coefficients=  5.8984000000D-01
     Exponent=  1.7002000000D+00 Coefficients=  3.1719440000D-01
     Exponent=  4.7194000000D-01 Coefficients=  1.7983300000D-02
     Exponent=  1.4421000000D-01 Coefficients= -1.4683000000D-03
 P 11 1.00
     Exponent=  4.3408000000D+03 Coefficients=  1.5180000000D-04
     Exponent=  1.0289000000D+03 Coefficients=  1.2563000000D-03
     Exponent=  3.3202000000D+02 Coefficients=  6.6224000000D-03
     Exponent=  1.2516000000D+02 Coefficients=  2.2381600000D-02
     Exponent=  5.1511000000D+01 Coefficients=  5.0971700000D-02
     Exponent=  2.2281000000D+01 Coefficients=  4.1400900000D-02
     Exponent=  9.3417000000D+00 Coefficients= -7.0397000000D-02
     Exponent=  4.0132000000D+00 Coefficients= -2.2325400000D-01
     Exponent=  1.7002000000D+00 Coefficients= -5.6417900000D-02
     Exponent=  4.7194000000D-01 Coefficients=  5.8080790000D-01
     Exponent=  1.4421000000D-01 Coefficients=  5.5081320000D-01
 P 1 1.00
     Exponent=  1.4421000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1049000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.0483000000D+02 Coefficients=  2.2658300000D-02
     Exponent=  3.0272000000D+01 Coefficients=  1.3458950000D-01
     Exponent=  1.0649000000D+01 Coefficients=  3.6471810000D-01
     Exponent=  3.8696000000D+00 Coefficients=  4.9041960000D-01
     Exponent=  1.3239000000D+00 Coefficients=  2.7138850000D-01
 D 1 1.00
     Exponent=  4.0980000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7190000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  108 primitive shells out of 948 were deleted.
 There are   824 symmetry adapted cartesian basis functions of A   symmetry.
 There are   769 symmetry adapted basis functions of A   symmetry.
   769 basis functions,  1559 primitive gaussians,   824 cartesian basis functions
   103 alpha electrons      103 beta electrons
       nuclear repulsion energy      2775.6360966885 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   42 NActive=   42 NUniq=   42 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0396082424 Hartrees.
 Nuclear repulsion after empirical dispersion term =     2775.5964884461 Hartrees.
 Leave Link  301 at Sat Jul 17 18:49:15 2021, MaxMem=  5637144576 cpu:              15.9 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   769 RedAO= T EigKep=  1.01D-06  NBF=   769
 NBsUse=   757 1.00D-06 EigRej=  9.38D-07 NBFU=   757
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   824   824   824   824   824 MxSgAt=    42 MxSgA2=    42.
 Leave Link  302 at Sat Jul 17 18:49:18 2021, MaxMem=  5637144576 cpu:              22.1 elap:               2.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sat Jul 17 18:49:19 2021, MaxMem=  5637144576 cpu:               3.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "24_bromohexahelicene_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sat Jul 17 18:49:23 2021, MaxMem=  5637144576 cpu:              26.9 elap:               3.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5635772606 LenY=  5635092806
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -3573.78652048878    
 DIIS: error= 2.97D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3573.78652048878     IErMin= 1 ErrMin= 2.97D-03
 ErrMax= 2.97D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-02 BMatP= 1.75D-02
 IDIUse=3 WtCom= 9.70D-01 WtEn= 2.97D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.267 Goal=   None    Shift=    0.000
 GapD=    0.267 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.15D-02 MaxDP=6.47D+00              OVMax= 1.62D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.75D-02    CP:  1.24D+00
 E= -3573.79592628210     Delta-E=       -0.009405793317 Rises=F Damp=F
 DIIS: error= 2.43D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -3573.79592628210     IErMin= 2 ErrMin= 2.43D-04
 ErrMax= 2.43D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-04 BMatP= 1.75D-02
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.43D-03
 Coeff-Com: -0.254D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.254D-01 0.103D+01
 Gap=     0.268 Goal=   None    Shift=    0.000
 RMSDP=9.13D-03 MaxDP=9.41D-01 DE=-9.41D-03 OVMax= 5.28D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.78D-03    CP:  1.29D+00  1.13D+00
 E= -3573.79626845002     Delta-E=       -0.000342167918 Rises=F Damp=F
 DIIS: error= 9.23D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -3573.79626845002     IErMin= 3 ErrMin= 9.23D-05
 ErrMax= 9.23D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.17D-05 BMatP= 1.47D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.119D-01 0.174D+00 0.838D+00
 Coeff:     -0.119D-01 0.174D+00 0.838D+00
 Gap=     0.268 Goal=   None    Shift=    0.000
 RMSDP=8.41D-04 MaxDP=9.11D-02 DE=-3.42D-04 OVMax= 2.42D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.21D-04    CP:  1.30D+00  1.14D+00  1.13D+00
 E= -3573.79630773303     Delta-E=       -0.000039283018 Rises=F Damp=F
 DIIS: error= 8.54D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3573.79630773303     IErMin= 4 ErrMin= 8.54D-05
 ErrMax= 8.54D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.41D-06 BMatP= 2.17D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.119D-02-0.587D-01 0.315D+00 0.745D+00
 Coeff:     -0.119D-02-0.587D-01 0.315D+00 0.745D+00
 Gap=     0.268 Goal=   None    Shift=    0.000
 RMSDP=2.63D-04 MaxDP=2.30D-02 DE=-3.93D-05 OVMax= 1.40D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.50D-05    CP:  1.30D+00  1.14D+00  1.17D+00  1.02D+00
 E= -3573.79632113146     Delta-E=       -0.000013398427 Rises=F Damp=F
 DIIS: error= 2.94D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -3573.79632113146     IErMin= 5 ErrMin= 2.94D-05
 ErrMax= 2.94D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-06 BMatP= 7.41D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.146D-02-0.493D-01-0.229D-01 0.288D+00 0.783D+00
 Coeff:      0.146D-02-0.493D-01-0.229D-01 0.288D+00 0.783D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=4.23D-05 MaxDP=3.24D-03 DE=-1.34D-05 OVMax= 7.11D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.82D-05    CP:  1.30D+00  1.14D+00  1.18D+00  1.08D+00  1.04D+00
 E= -3573.79632398932     Delta-E=       -0.000002857861 Rises=F Damp=F
 DIIS: error= 1.62D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -3573.79632398932     IErMin= 6 ErrMin= 1.62D-05
 ErrMax= 1.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.73D-07 BMatP= 1.23D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.869D-03-0.144D-01-0.573D-01 0.256D-01 0.356D+00 0.689D+00
 Coeff:      0.869D-03-0.144D-01-0.573D-01 0.256D-01 0.356D+00 0.689D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.51D-05 MaxDP=2.91D-03 DE=-2.86D-06 OVMax= 3.17D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.12D-05    CP:  1.30D+00  1.14D+00  1.18D+00  1.08D+00  1.07D+00
                    CP:  1.03D+00
 E= -3573.79632453473     Delta-E=       -0.000000545411 Rises=F Damp=F
 DIIS: error= 5.24D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -3573.79632453473     IErMin= 7 ErrMin= 5.24D-06
 ErrMax= 5.24D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.55D-08 BMatP= 2.73D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.420D-04 0.696D-02-0.153D-01-0.603D-01-0.601D-01 0.281D+00
 Coeff-Com:  0.848D+00
 Coeff:     -0.420D-04 0.696D-02-0.153D-01-0.603D-01-0.601D-01 0.281D+00
 Coeff:      0.848D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.17D-05 MaxDP=2.06D-03 DE=-5.45D-07 OVMax= 1.69D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.76D-06    CP:  1.30D+00  1.14D+00  1.18D+00  1.07D+00  1.08D+00
                    CP:  1.08D+00  1.02D+00
 E= -3573.79632464591     Delta-E=       -0.000000111174 Rises=F Damp=F
 DIIS: error= 1.96D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -3573.79632464591     IErMin= 8 ErrMin= 1.96D-06
 ErrMax= 1.96D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.04D-09 BMatP= 4.55D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.928D-04 0.406D-02 0.363D-03-0.279D-01-0.701D-01 0.363D-01
 Coeff-Com:  0.377D+00 0.680D+00
 Coeff:     -0.928D-04 0.406D-02 0.363D-03-0.279D-01-0.701D-01 0.363D-01
 Coeff:      0.377D+00 0.680D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.80D-06 MaxDP=2.22D-04 DE=-1.11D-07 OVMax= 4.16D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.93D-06    CP:  1.30D+00  1.14D+00  1.18D+00  1.07D+00  1.07D+00
                    CP:  1.09D+00  1.05D+00  1.06D+00
 E= -3573.79632465656     Delta-E=       -0.000000010653 Rises=F Damp=F
 DIIS: error= 6.60D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -3573.79632465656     IErMin= 9 ErrMin= 6.60D-07
 ErrMax= 6.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.66D-10 BMatP= 7.04D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.346D-04 0.912D-03 0.217D-02-0.512D-02-0.248D-01-0.176D-01
 Coeff-Com:  0.708D-01 0.293D+00 0.681D+00
 Coeff:     -0.346D-04 0.912D-03 0.217D-02-0.512D-02-0.248D-01-0.176D-01
 Coeff:      0.708D-01 0.293D+00 0.681D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=1.57D-06 MaxDP=1.69D-04 DE=-1.07D-08 OVMax= 1.17D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.00D-07    CP:  1.30D+00  1.14D+00  1.18D+00  1.07D+00  1.07D+00
                    CP:  1.09D+00  1.06D+00  1.11D+00  1.00D+00
 E= -3573.79632465831     Delta-E=       -0.000000001755 Rises=F Damp=F
 DIIS: error= 1.74D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -3573.79632465831     IErMin=10 ErrMin= 1.74D-07
 ErrMax= 1.74D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.43D-11 BMatP= 7.66D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.634D-06-0.290D-03 0.842D-03 0.269D-02 0.164D-02-0.137D-01
 Coeff-Com: -0.351D-01 0.354D-02 0.246D+00 0.794D+00
 Coeff:      0.634D-06-0.290D-03 0.842D-03 0.269D-02 0.164D-02-0.137D-01
 Coeff:     -0.351D-01 0.354D-02 0.246D+00 0.794D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=9.40D-07 MaxDP=8.48D-05 DE=-1.76D-09 OVMax= 5.60D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.46D-07    CP:  1.30D+00  1.14D+00  1.18D+00  1.07D+00  1.06D+00
                    CP:  1.08D+00  1.06D+00  1.14D+00  1.06D+00  1.17D+00
 E= -3573.79632465803     Delta-E=        0.000000000286 Rises=F Damp=F
 DIIS: error= 8.55D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -3573.79632465831     IErMin=11 ErrMin= 8.55D-08
 ErrMax= 8.55D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-11 BMatP= 8.43D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.345D-05-0.188D-03 0.635D-04 0.151D-02 0.322D-02-0.277D-02
 Coeff-Com: -0.194D-01-0.267D-01 0.878D-02 0.269D+00 0.766D+00
 Coeff:      0.345D-05-0.188D-03 0.635D-04 0.151D-02 0.322D-02-0.277D-02
 Coeff:     -0.194D-01-0.267D-01 0.878D-02 0.269D+00 0.766D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=3.50D-07 MaxDP=2.44D-05 DE= 2.86D-10 OVMax= 2.18D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.07D-07    CP:  1.30D+00  1.14D+00  1.18D+00  1.07D+00  1.06D+00
                    CP:  1.08D+00  1.06D+00  1.14D+00  1.08D+00  1.32D+00
                    CP:  1.45D+00
 E= -3573.79632465840     Delta-E=       -0.000000000374 Rises=F Damp=F
 DIIS: error= 3.80D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -3573.79632465840     IErMin=12 ErrMin= 3.80D-08
 ErrMax= 3.80D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.86D-12 BMatP= 1.03D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.104D-05-0.422D-05-0.141D-03-0.336D-04 0.620D-03 0.154D-02
 Coeff-Com:  0.817D-03-0.645D-02-0.420D-01-0.709D-01 0.199D+00 0.918D+00
 Coeff:      0.104D-05-0.422D-05-0.141D-03-0.336D-04 0.620D-03 0.154D-02
 Coeff:      0.817D-03-0.645D-02-0.420D-01-0.709D-01 0.199D+00 0.918D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=3.95D-07 MaxDP=2.16D-05 DE=-3.74D-10 OVMax= 1.57D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.24D-07    CP:  1.30D+00  1.14D+00  1.18D+00  1.07D+00  1.06D+00
                    CP:  1.08D+00  1.06D+00  1.15D+00  1.09D+00  1.46D+00
                    CP:  2.09D+00  2.17D+00
 E= -3573.79632465850     Delta-E=       -0.000000000102 Rises=F Damp=F
 DIIS: error= 2.39D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -3573.79632465850     IErMin=13 ErrMin= 2.39D-08
 ErrMax= 2.39D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.55D-13 BMatP= 1.86D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.338D-06 0.383D-04-0.692D-04-0.344D-03-0.463D-03 0.114D-02
 Coeff-Com:  0.457D-02 0.323D-02-0.186D-01-0.817D-01-0.735D-01 0.331D+00
 Coeff-Com:  0.835D+00
 Coeff:     -0.338D-06 0.383D-04-0.692D-04-0.344D-03-0.463D-03 0.114D-02
 Coeff:      0.457D-02 0.323D-02-0.186D-01-0.817D-01-0.735D-01 0.331D+00
 Coeff:      0.835D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=4.91D-07 MaxDP=2.65D-05 DE=-1.02D-10 OVMax= 8.05D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  1.53D-07    CP:  1.30D+00  1.14D+00  1.18D+00  1.07D+00  1.06D+00
                    CP:  1.08D+00  1.06D+00  1.17D+00  1.11D+00  1.64D+00
                    CP:  2.84D+00  3.00D+00  2.23D+00
 E= -3573.79632465821     Delta-E=        0.000000000297 Rises=F Damp=F
 DIIS: error= 1.95D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -3573.79632465850     IErMin=14 ErrMin= 1.95D-08
 ErrMax= 1.95D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-13 BMatP= 4.55D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.382D-06 0.166D-04-0.148D-05-0.131D-03-0.288D-03 0.138D-03
 Coeff-Com:  0.166D-02 0.213D-02-0.305D-03-0.190D-01-0.588D-01-0.468D-01
 Coeff-Com:  0.314D+00 0.807D+00
 Coeff:     -0.382D-06 0.166D-04-0.148D-05-0.131D-03-0.288D-03 0.138D-03
 Coeff:      0.166D-02 0.213D-02-0.305D-03-0.190D-01-0.588D-01-0.468D-01
 Coeff:      0.314D+00 0.807D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=6.26D-07 MaxDP=3.38D-05 DE= 2.97D-10 OVMax= 3.94D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  3.16D-07    CP:  1.30D+00  1.14D+00  1.18D+00  1.07D+00  1.06D+00
                    CP:  1.09D+00  1.07D+00  1.18D+00  1.14D+00  1.85D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  3.00D+00
 E= -3573.79632465816     Delta-E=        0.000000000041 Rises=F Damp=F
 DIIS: error= 2.40D-08 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=13 EnMin= -3573.79632465850     IErMin=14 ErrMin= 1.95D-08
 ErrMax= 2.40D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-13 BMatP= 1.45D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.268D-06 0.111D-04-0.288D-06-0.869D-04-0.194D-03 0.774D-04
 Coeff-Com:  0.113D-02 0.144D-02 0.294D-04-0.125D-01-0.402D-01-0.369D-01
 Coeff-Com:  0.213D+00 0.560D+00 0.314D+00
 Coeff:     -0.268D-06 0.111D-04-0.288D-06-0.869D-04-0.194D-03 0.774D-04
 Coeff:      0.113D-02 0.144D-02 0.294D-04-0.125D-01-0.402D-01-0.369D-01
 Coeff:      0.213D+00 0.560D+00 0.314D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.56D-07 MaxDP=1.38D-05 DE= 4.09D-11 OVMax= 3.68D-08

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  1.12D-07    CP:  1.30D+00  1.14D+00  1.18D+00  1.07D+00  1.06D+00
                    CP:  1.09D+00  1.07D+00  1.19D+00  1.15D+00  1.94D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  3.00D+00  1.64D+00
 E= -3573.79632465762     Delta-E=        0.000000000548 Rises=F Damp=F
 DIIS: error= 2.53D-08 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=13 EnMin= -3573.79632465850     IErMin=14 ErrMin= 1.95D-08
 ErrMax= 2.53D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-13 BMatP= 1.06D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-1.34D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.582D-05 0.991D-05-0.490D-04-0.155D-03-0.118D-03 0.658D-03
 Coeff-Com:  0.126D-02 0.390D-02-0.136D-02-0.463D-01-0.131D+00 0.170D+00
 Coeff-Com:  0.948D+00 0.330D+01-0.325D+01
 Coeff:      0.582D-05 0.991D-05-0.490D-04-0.155D-03-0.118D-03 0.658D-03
 Coeff:      0.126D-02 0.390D-02-0.136D-02-0.463D-01-0.131D+00 0.170D+00
 Coeff:      0.948D+00 0.330D+01-0.325D+01
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=1.03D-06 MaxDP=5.60D-05 DE= 5.48D-10 OVMax= 5.02D-08

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  6.62D-08    CP:  1.30D+00  1.14D+00  1.18D+00  1.07D+00  1.06D+00
                    CP:  1.08D+00  1.06D+00  1.16D+00  1.10D+00  1.57D+00
                    CP:  2.62D+00  3.00D+00  1.79D+00  3.92D-01 -7.90D-03
                    CP: -2.44D-02
 E= -3573.79632465822     Delta-E=       -0.000000000608 Rises=F Damp=F
 DIIS: error= 1.76D-08 at cycle  17 NSaved=  16.
 NSaved=16 IEnMin=12 EnMin= -3573.79632465850     IErMin=16 ErrMin= 1.76D-08
 ErrMax= 1.76D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.13D-14 BMatP= 1.06D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-1.03D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.166D-04 0.315D-04-0.193D-04-0.273D-03-0.288D-03 0.387D-03
 Coeff-Com:  0.595D-02 0.138D-01-0.202D-02-0.110D+00-0.157D+00 0.151D+00
 Coeff-Com:  0.439D+01-0.567D+01 0.238D+01
 Coeff:      0.166D-04 0.315D-04-0.193D-04-0.273D-03-0.288D-03 0.387D-03
 Coeff:      0.595D-02 0.138D-01-0.202D-02-0.110D+00-0.157D+00 0.151D+00
 Coeff:      0.439D+01-0.567D+01 0.238D+01
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.23D-06 MaxDP=1.20D-04 DE=-6.08D-10 OVMax= 1.41D-07

 Cycle  18  Pass 1  IDiag  1:
 RMSU=  2.45D-07    CP:  1.30D+00  1.14D+00  1.18D+00  1.07D+00  1.06D+00
                    CP:  1.08D+00  1.05D+00  1.10D+00  1.00D+00  7.90D-01
                    CP: -7.35D-01 -3.00D+00 -3.00D+00 -1.33D+00 -8.63D-02
                    CP: -4.26D-01  1.95D+00
 E= -3573.79632465911     Delta-E=       -0.000000000884 Rises=F Damp=F
 DIIS: error= 4.51D-09 at cycle  18 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -3573.79632465911     IErMin=16 ErrMin= 4.51D-09
 ErrMax= 4.51D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-14 BMatP= 6.13D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-4.67D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.827D-05 0.889D-05-0.341D-04-0.566D-04-0.801D-04 0.602D-03
 Coeff-Com:  0.184D-02 0.541D-02 0.390D-03-0.533D-01-0.143D+00 0.602D-01
 Coeff-Com: -0.907D-01 0.486D+00 0.733D+00
 Coeff:      0.827D-05 0.889D-05-0.341D-04-0.566D-04-0.801D-04 0.602D-03
 Coeff:      0.184D-02 0.541D-02 0.390D-03-0.533D-01-0.143D+00 0.602D-01
 Coeff:     -0.907D-01 0.486D+00 0.733D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=5.17D-07 MaxDP=2.80D-05 DE=-8.84D-10 OVMax= 8.08D-08

 Cycle  19  Pass 1  IDiag  1:
 RMSU=  9.59D-08    CP:  1.30D+00  1.14D+00  1.18D+00  1.07D+00  1.06D+00
                    CP:  1.08D+00  1.05D+00  1.11D+00  1.03D+00  9.76D-01
                    CP:  1.03D-02 -2.15D+00 -2.72D+00 -3.15D-01  7.80D-02
                    CP: -1.76D-01  2.93D-02  5.61D-01
 E= -3573.79632465883     Delta-E=        0.000000000276 Rises=F Damp=F
 DIIS: error= 8.86D-10 at cycle  19 NSaved=  16.
 NSaved=16 IEnMin=15 EnMin= -3573.79632465911     IErMin=16 ErrMin= 8.86D-10
 ErrMax= 8.86D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-15 BMatP= 1.12D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.37D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.355D-06 0.656D-05 0.104D-04-0.805D-04-0.346D-03-0.736D-03
 Coeff-Com:  0.170D-02 0.117D-01 0.390D-02-0.538D-01-0.597D+00 0.779D+00
 Coeff-Com: -0.246D+00 0.175D+00 0.926D+00
 Coeff:     -0.355D-06 0.656D-05 0.104D-04-0.805D-04-0.346D-03-0.736D-03
 Coeff:      0.170D-02 0.117D-01 0.390D-02-0.538D-01-0.597D+00 0.779D+00
 Coeff:     -0.246D+00 0.175D+00 0.926D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=6.18D-08 MaxDP=3.12D-06 DE= 2.76D-10 OVMax= 4.64D-08

 Cycle  20  Pass 1  IDiag  1:
 RMSU=  2.63D-08    CP:  1.30D+00  1.14D+00  1.18D+00  1.07D+00  1.06D+00
                    CP:  1.08D+00  1.05D+00  1.12D+00  1.03D+00  9.92D-01
                    CP:  8.74D-02 -2.00D+00 -2.57D+00 -2.99D-01  7.53D-02
                    CP: -1.53D-01 -2.66D-01  5.07D-01  9.74D-01
 E= -3573.79632465910     Delta-E=       -0.000000000268 Rises=F Damp=F
 DIIS: error= 1.45D-09 at cycle  20 NSaved=  16.
 NSaved=16 IEnMin=14 EnMin= -3573.79632465911     IErMin=15 ErrMin= 8.86D-10
 ErrMax= 1.45D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.80D-16 BMatP= 1.13D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.58D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.404D-05 0.426D-05-0.319D-04-0.130D-03-0.260D-03 0.558D-03
 Coeff-Com:  0.424D-02 0.156D-02-0.137D-01-0.130D+00 0.130D+00-0.598D-01
 Coeff-Com:  0.184D-01 0.294D+00 0.755D+00
 Coeff:      0.404D-05 0.426D-05-0.319D-04-0.130D-03-0.260D-03 0.558D-03
 Coeff:      0.424D-02 0.156D-02-0.137D-01-0.130D+00 0.130D+00-0.598D-01
 Coeff:      0.184D-01 0.294D+00 0.755D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=1.10D-07 MaxDP=5.39D-06 DE=-2.68D-10 OVMax= 1.32D-08

 Cycle  21  Pass 1  IDiag  1:
 Restarting incremental Fock formation.
 E= -3573.79632464599     Delta-E=        0.000000013109 Rises=F Damp=F
 DIIS: error= 2.13D-07 at cycle  21 NSaved=  16.
 NSaved=16 IEnMin=13 EnMin= -3573.79632465911     IErMin=14 ErrMin= 8.86D-10
 ErrMax= 2.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.34D-12 BMatP= 4.80D-16
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.59D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.747D-06-0.260D-04-0.720D-04-0.139D-03 0.441D-03 0.342D-02
 Coeff-Com:  0.149D-02-0.108D-01-0.114D+00 0.107D+00-0.574D-01 0.199D-01
 Coeff-Com:  0.302D+00 0.749D+00-0.706D-03
 Coeff:     -0.747D-06-0.260D-04-0.720D-04-0.139D-03 0.441D-03 0.342D-02
 Coeff:      0.149D-02-0.108D-01-0.114D+00 0.107D+00-0.574D-01 0.199D-01
 Coeff:      0.302D+00 0.749D+00-0.706D-03
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=1.51D-08 MaxDP=7.20D-07 DE= 1.31D-08 OVMax= 8.90D-10

 Cycle  22  Pass 1  IDiag  1:
 RMSU=  1.45D-08    CP:  1.00D+00
 E= -3573.79632464566     Delta-E=        0.000000000336 Rises=F Damp=F
 DIIS: error= 2.14D-07 at cycle  22 NSaved=  16.
 NSaved=16 IEnMin=12 EnMin= -3573.79632465911     IErMin=13 ErrMin= 8.86D-10
 ErrMax= 2.14D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.40D-12 BMatP= 4.80D-16
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-1.22D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.253D-04-0.726D-04-0.146D-03 0.431D-03 0.342D-02 0.151D-02
 Coeff-Com: -0.106D-01-0.111D+00 0.103D+00-0.563D-01 0.201D-01 0.301D+00
 Coeff-Com:  0.749D+00 0.174D-01-0.181D-01
 Coeff:     -0.253D-04-0.726D-04-0.146D-03 0.431D-03 0.342D-02 0.151D-02
 Coeff:     -0.106D-01-0.111D+00 0.103D+00-0.563D-01 0.201D-01 0.301D+00
 Coeff:      0.749D+00 0.174D-01-0.181D-01
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.35D-09 MaxDP=1.32D-07 DE= 3.36D-10 OVMax= 1.05D-10

 SCF Done:  E(RwB97XD) =  -3573.79632465     A.U. after   22 cycles
            NFock= 22  Conv=0.23D-08     -V/T= 2.0025
 KE= 3.564713481412D+03 PE=-1.402072094452D+04 EE= 4.106614650016D+03
 Leave Link  502 at Sat Jul 17 22:37:42 2021, MaxMem=  5637144576 cpu:          109309.1 elap:           13699.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   757
 NBasis=   769 NAE=   103 NBE=   103 NFC=     0 NFV=     0
 NROrb=    757 NOA=   103 NOB=   103 NVA=   654 NVB=   654

 **** Warning!!: The largest alpha MO coefficient is  0.17993676D+03

 Leave Link  801 at Sat Jul 17 22:37:43 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        12972 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          42
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.12D-12 8.33D-09 XBig12= 1.00D+00 3.40D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.12D-12 8.33D-09 XBig12= 3.32D-01 7.21D-02.
     11 vectors produced by pass  2 Test12= 1.12D-12 8.33D-09 XBig12= 9.71D-02 6.39D-02.
     11 vectors produced by pass  3 Test12= 1.12D-12 8.33D-09 XBig12= 1.54D-02 2.22D-02.
     11 vectors produced by pass  4 Test12= 1.12D-12 8.33D-09 XBig12= 3.91D-03 1.45D-02.
     11 vectors produced by pass  5 Test12= 1.12D-12 8.33D-09 XBig12= 5.88D-04 7.75D-03.
     11 vectors produced by pass  6 Test12= 1.12D-12 8.33D-09 XBig12= 6.77D-05 2.24D-03.
     11 vectors produced by pass  7 Test12= 1.12D-12 8.33D-09 XBig12= 1.04D-05 7.16D-04.
     11 vectors produced by pass  8 Test12= 1.12D-12 8.33D-09 XBig12= 1.38D-06 1.64D-04.
     11 vectors produced by pass  9 Test12= 1.12D-12 8.33D-09 XBig12= 1.24D-07 4.13D-05.
     11 vectors produced by pass 10 Test12= 1.12D-12 8.33D-09 XBig12= 7.30D-09 1.21D-05.
     11 vectors produced by pass 11 Test12= 1.12D-12 8.33D-09 XBig12= 5.66D-10 2.93D-06.
     10 vectors produced by pass 12 Test12= 1.12D-12 8.33D-09 XBig12= 1.79D-10 1.05D-06.
      8 vectors produced by pass 13 Test12= 1.12D-12 8.33D-09 XBig12= 9.93D-11 4.45D-07.
      8 vectors produced by pass 14 Test12= 1.12D-12 8.33D-09 XBig12= 2.07D-11 2.38D-07.
      6 vectors produced by pass 15 Test12= 1.12D-12 8.33D-09 XBig12= 6.80D-12 1.37D-07.
      5 vectors produced by pass 16 Test12= 1.12D-12 8.33D-09 XBig12= 1.46D-11 1.86D-07.
      4 vectors produced by pass 17 Test12= 1.12D-12 8.33D-09 XBig12= 4.99D-12 8.74D-08.
      3 vectors produced by pass 18 Test12= 1.12D-12 8.33D-09 XBig12= 5.89D-12 7.46D-08.
      2 vectors produced by pass 19 Test12= 1.12D-12 8.33D-09 XBig12= 2.39D-12 5.13D-08.
      2 vectors produced by pass 20 Test12= 1.12D-12 8.33D-09 XBig12= 1.47D-12 5.76D-08.
      2 vectors produced by pass 21 Test12= 1.12D-12 8.33D-09 XBig12= 1.27D-12 3.60D-08.
      2 vectors produced by pass 22 Test12= 1.12D-12 8.33D-09 XBig12= 9.36D-13 4.62D-08.
      2 vectors produced by pass 23 Test12= 1.12D-12 8.33D-09 XBig12= 8.34D-13 4.06D-08.
      2 vectors produced by pass 24 Test12= 1.12D-12 8.33D-09 XBig12= 6.41D-13 2.95D-08.
      2 vectors produced by pass 25 Test12= 1.12D-12 8.33D-09 XBig12= 6.27D-13 2.45D-08.
      2 vectors produced by pass 26 Test12= 1.12D-12 8.33D-09 XBig12= 5.34D-13 2.41D-08.
      2 vectors produced by pass 27 Test12= 1.12D-12 8.33D-09 XBig12= 5.90D-13 3.14D-08.
      2 vectors produced by pass 28 Test12= 1.12D-12 8.33D-09 XBig12= 6.34D-13 3.22D-08.
      2 vectors produced by pass 29 Test12= 1.12D-12 8.33D-09 XBig12= 5.01D-13 1.97D-08.
      2 vectors produced by pass 30 Test12= 1.12D-12 8.33D-09 XBig12= 3.89D-13 2.77D-08.
      2 vectors produced by pass 31 Test12= 1.12D-12 8.33D-09 XBig12= 4.64D-13 2.16D-08.
      2 vectors produced by pass 32 Test12= 1.12D-12 8.33D-09 XBig12= 3.90D-13 2.04D-08.
      2 vectors produced by pass 33 Test12= 1.12D-12 8.33D-09 XBig12= 3.51D-13 2.08D-08.
      2 vectors produced by pass 34 Test12= 1.12D-12 8.33D-09 XBig12= 3.43D-13 1.78D-08.
      2 vectors produced by pass 35 Test12= 1.12D-12 8.33D-09 XBig12= 4.30D-13 2.46D-08.
      2 vectors produced by pass 36 Test12= 1.12D-12 8.33D-09 XBig12= 3.64D-13 1.92D-08.
      2 vectors produced by pass 37 Test12= 1.12D-12 8.33D-09 XBig12= 1.80D-13 1.40D-08.
      2 vectors produced by pass 38 Test12= 1.12D-12 8.33D-09 XBig12= 2.07D-13 1.85D-08.
      2 vectors produced by pass 39 Test12= 1.12D-12 8.33D-09 XBig12= 2.21D-13 1.98D-08.
      2 vectors produced by pass 40 Test12= 1.12D-12 8.33D-09 XBig12= 3.09D-13 1.85D-08.
      2 vectors produced by pass 41 Test12= 1.12D-12 8.33D-09 XBig12= 2.84D-13 2.16D-08.
      2 vectors produced by pass 42 Test12= 1.12D-12 8.33D-09 XBig12= 2.52D-13 1.42D-08.
      1 vectors produced by pass 43 Test12= 1.12D-12 8.33D-09 XBig12= 2.04D-13 1.54D-08.
      1 vectors produced by pass 44 Test12= 1.12D-12 8.33D-09 XBig12= 1.84D-13 1.63D-08.
      1 vectors produced by pass 45 Test12= 1.12D-12 8.33D-09 XBig12= 2.39D-13 2.00D-08.
      1 vectors produced by pass 46 Test12= 1.12D-12 8.33D-09 XBig12= 2.35D-13 1.31D-08.
      1 vectors produced by pass 47 Test12= 1.12D-12 8.33D-09 XBig12= 1.94D-13 1.36D-08.
      1 vectors produced by pass 48 Test12= 1.12D-12 8.33D-09 XBig12= 2.14D-13 1.38D-08.
      1 vectors produced by pass 49 Test12= 1.12D-12 8.33D-09 XBig12= 1.56D-13 1.31D-08.
      1 vectors produced by pass 50 Test12= 1.12D-12 8.33D-09 XBig12= 1.59D-13 1.40D-08.
      1 vectors produced by pass 51 Test12= 1.12D-12 8.33D-09 XBig12= 1.84D-13 1.71D-08.
      1 vectors produced by pass 52 Test12= 1.12D-12 8.33D-09 XBig12= 2.30D-13 1.89D-08.
      1 vectors produced by pass 53 Test12= 1.12D-12 8.33D-09 XBig12= 2.05D-13 1.53D-08.
      1 vectors produced by pass 54 Test12= 1.12D-12 8.33D-09 XBig12= 1.67D-13 1.58D-08.
      1 vectors produced by pass 55 Test12= 1.12D-12 8.33D-09 XBig12= 1.20D-13 1.22D-08.
      1 vectors produced by pass 56 Test12= 1.12D-12 8.33D-09 XBig12= 1.23D-13 9.63D-09.
      1 vectors produced by pass 57 Test12= 1.12D-12 8.33D-09 XBig12= 9.25D-14 8.98D-09.
      1 vectors produced by pass 58 Test12= 1.12D-12 8.33D-09 XBig12= 1.08D-13 9.35D-09.
      1 vectors produced by pass 59 Test12= 1.12D-12 8.33D-09 XBig12= 1.09D-13 1.15D-08.
      1 vectors produced by pass 60 Test12= 1.12D-12 8.33D-09 XBig12= 1.14D-13 1.37D-08.
      1 vectors produced by pass 61 Test12= 1.12D-12 8.33D-09 XBig12= 1.56D-13 1.36D-08.
      1 vectors produced by pass 62 Test12= 1.12D-12 8.33D-09 XBig12= 1.59D-13 1.83D-08.
      1 vectors produced by pass 63 Test12= 1.12D-12 8.33D-09 XBig12= 1.48D-13 1.29D-08.
      1 vectors produced by pass 64 Test12= 1.12D-12 8.33D-09 XBig12= 1.47D-13 1.45D-08.
      1 vectors produced by pass 65 Test12= 1.12D-12 8.33D-09 XBig12= 1.55D-13 1.24D-08.
      1 vectors produced by pass 66 Test12= 1.12D-12 8.33D-09 XBig12= 1.60D-13 9.80D-09.
      1 vectors produced by pass 67 Test12= 1.12D-12 8.33D-09 XBig12= 1.13D-13 8.52D-09.
      1 vectors produced by pass 68 Test12= 1.12D-12 8.33D-09 XBig12= 1.02D-13 1.00D-08.
      1 vectors produced by pass 69 Test12= 1.12D-12 8.33D-09 XBig12= 1.08D-13 1.04D-08.
      1 vectors produced by pass 70 Test12= 1.12D-12 8.33D-09 XBig12= 9.71D-14 9.70D-09.
      1 vectors produced by pass 71 Test12= 1.12D-12 8.33D-09 XBig12= 9.33D-14 9.22D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.28D-13
 Solved reduced A of dimension   253 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.451325D+03
      2 -0.184933D+02  0.416204D+03
      3  0.465362D+02  0.438390D+02  0.245987D+03
 Isotropic polarizability for W=    0.085645      371.17 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.682728D+03  0.466493D+02 -0.320503D+03
      2   0.235863D+03  0.134392D+02 -0.218549D+02
      3   0.446865D+03 -0.600885D+02  0.342358D+03
      4   0.110539D+03 -0.373974D+03 -0.324119D+03
      5  -0.126400D+03 -0.196779D+03  0.496192D+02
      6  -0.305162D+03  0.106592D+03 -0.178635D+03
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.200357D+03 -0.371360D+02  0.148103D+03
      2  -0.116661D+03 -0.762052D+02 -0.548371D+02
      3   0.137462D+03  0.658829D+03 -0.234174D+03
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.127340D+03  0.128447D+03  0.118547D+03
      2  -0.194103D+03 -0.189566D+02 -0.397246D+03
      3   0.638895D+02  0.609837D+03 -0.108383D+03
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.123354D+03  0.302421D+02 -0.485867D+02
      2   0.302421D+02 -0.216474D+02 -0.124424D+03
      3  -0.485867D+02 -0.124424D+03  0.349801D+02
 OR G Eigenvalues:  -137.8549  -118.4285   146.2618  Iso=    36.6739
 Eigenvectors:
   (1)   0.913257   0.162376   0.373626
   (2)  -0.351227   0.778498   0.520173
   (3)  -0.206403  -0.606279   0.768000
 w=    0.085645 a.u., Optical Rotation Beta=     36.6739 au.
 Molar Mass =    407.3085 grams/mole, [Alpha] ( 5320.0 A) =     4270.30 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  296065 ScalPx= 3.19D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  296065 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.24D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.87D-13 2.78D-09 XBig12= 1.00D+00 3.11D-01.
     30 vectors produced by pass  1 Test12= 1.87D-13 2.78D-09 XBig12= 2.09D-02 3.01D-02.
     30 vectors produced by pass  2 Test12= 1.87D-13 2.78D-09 XBig12= 3.12D-03 1.05D-02.
     30 vectors produced by pass  3 Test12= 1.87D-13 2.78D-09 XBig12= 1.20D-04 2.03D-03.
     30 vectors produced by pass  4 Test12= 1.87D-13 2.78D-09 XBig12= 1.06D-05 6.08D-04.
     30 vectors produced by pass  5 Test12= 1.87D-13 2.78D-09 XBig12= 3.52D-07 8.03D-05.
     30 vectors produced by pass  6 Test12= 1.87D-13 2.78D-09 XBig12= 1.32D-08 1.20D-05.
     30 vectors produced by pass  7 Test12= 1.87D-13 2.78D-09 XBig12= 6.10D-10 2.08D-06.
     30 vectors produced by pass  8 Test12= 1.87D-13 2.78D-09 XBig12= 1.07D-10 4.73D-07.
     30 vectors produced by pass  9 Test12= 1.87D-13 2.78D-09 XBig12= 4.11D-11 2.79D-07.
     13 vectors produced by pass 10 Test12= 1.87D-13 2.78D-09 XBig12= 1.45D-11 1.50D-07.
      5 vectors produced by pass 11 Test12= 1.87D-13 2.78D-09 XBig12= 7.95D-12 1.14D-07.
      4 vectors produced by pass 12 Test12= 1.87D-13 2.78D-09 XBig12= 3.79D-12 8.27D-08.
      4 vectors produced by pass 13 Test12= 1.87D-13 2.78D-09 XBig12= 1.76D-12 5.86D-08.
      4 vectors produced by pass 14 Test12= 1.87D-13 2.78D-09 XBig12= 1.43D-12 4.34D-08.
      3 vectors produced by pass 15 Test12= 1.87D-13 2.78D-09 XBig12= 8.92D-13 4.23D-08.
      3 vectors produced by pass 16 Test12= 1.87D-13 2.78D-09 XBig12= 7.78D-13 3.86D-08.
      3 vectors produced by pass 17 Test12= 1.87D-13 2.78D-09 XBig12= 1.01D-12 4.21D-08.
      3 vectors produced by pass 18 Test12= 1.87D-13 2.78D-09 XBig12= 3.69D-13 2.61D-08.
      3 vectors produced by pass 19 Test12= 1.87D-13 2.78D-09 XBig12= 3.90D-13 2.64D-08.
      3 vectors produced by pass 20 Test12= 1.87D-13 2.78D-09 XBig12= 3.84D-13 2.01D-08.
      3 vectors produced by pass 21 Test12= 1.87D-13 2.78D-09 XBig12= 4.99D-13 2.24D-08.
      3 vectors produced by pass 22 Test12= 1.87D-13 2.78D-09 XBig12= 3.66D-13 2.29D-08.
      3 vectors produced by pass 23 Test12= 1.87D-13 2.78D-09 XBig12= 3.31D-13 2.67D-08.
      3 vectors produced by pass 24 Test12= 1.87D-13 2.78D-09 XBig12= 2.34D-13 1.83D-08.
      3 vectors produced by pass 25 Test12= 1.87D-13 2.78D-09 XBig12= 2.32D-13 1.50D-08.
      3 vectors produced by pass 26 Test12= 1.87D-13 2.78D-09 XBig12= 2.56D-13 1.56D-08.
      3 vectors produced by pass 27 Test12= 1.87D-13 2.78D-09 XBig12= 2.92D-13 2.28D-08.
      3 vectors produced by pass 28 Test12= 1.87D-13 2.78D-09 XBig12= 1.66D-13 1.67D-08.
      3 vectors produced by pass 29 Test12= 1.87D-13 2.78D-09 XBig12= 4.56D-13 3.46D-08.
      3 vectors produced by pass 30 Test12= 1.87D-13 2.78D-09 XBig12= 3.99D-13 2.64D-08.
      3 vectors produced by pass 31 Test12= 1.87D-13 2.78D-09 XBig12= 1.82D-13 2.78D-08.
      3 vectors produced by pass 32 Test12= 1.87D-13 2.78D-09 XBig12= 1.88D-13 1.68D-08.
      3 vectors produced by pass 33 Test12= 1.87D-13 2.78D-09 XBig12= 1.96D-13 1.84D-08.
      2 vectors produced by pass 34 Test12= 1.87D-13 2.78D-09 XBig12= 1.12D-13 1.16D-08.
      1 vectors produced by pass 35 Test12= 1.87D-13 2.78D-09 XBig12= 4.90D-14 8.35D-09.
      1 vectors produced by pass 36 Test12= 1.87D-13 2.78D-09 XBig12= 3.37D-14 6.18D-09.
      1 vectors produced by pass 37 Test12= 1.87D-13 2.78D-09 XBig12= 3.23D-14 7.76D-09.
      1 vectors produced by pass 38 Test12= 1.87D-13 2.78D-09 XBig12= 3.09D-14 5.44D-09.
      1 vectors produced by pass 39 Test12= 1.87D-13 2.78D-09 XBig12= 3.16D-14 6.23D-09.
      1 vectors produced by pass 40 Test12= 1.87D-13 2.78D-09 XBig12= 3.83D-14 6.68D-09.
      1 vectors produced by pass 41 Test12= 1.87D-13 2.78D-09 XBig12= 3.15D-14 5.96D-09.
      1 vectors produced by pass 42 Test12= 1.87D-13 2.78D-09 XBig12= 2.65D-14 7.11D-09.
      1 vectors produced by pass 43 Test12= 1.87D-13 2.78D-09 XBig12= 3.45D-14 7.83D-09.
      1 vectors produced by pass 44 Test12= 1.87D-13 2.78D-09 XBig12= 2.14D-14 6.88D-09.
      1 vectors produced by pass 45 Test12= 1.87D-13 2.78D-09 XBig12= 2.90D-14 6.65D-09.
      1 vectors produced by pass 46 Test12= 1.87D-13 2.78D-09 XBig12= 1.82D-14 4.61D-09.
      1 vectors produced by pass 47 Test12= 1.87D-13 2.78D-09 XBig12= 2.41D-14 5.51D-09.
      1 vectors produced by pass 48 Test12= 1.87D-13 2.78D-09 XBig12= 1.92D-14 4.71D-09.
      1 vectors produced by pass 49 Test12= 1.87D-13 2.78D-09 XBig12= 1.96D-14 6.48D-09.
      1 vectors produced by pass 50 Test12= 1.87D-13 2.78D-09 XBig12= 2.91D-14 6.79D-09.
      1 vectors produced by pass 51 Test12= 1.87D-13 2.78D-09 XBig12= 2.17D-14 4.72D-09.
      1 vectors produced by pass 52 Test12= 1.87D-13 2.78D-09 XBig12= 2.71D-14 8.69D-09.
      1 vectors produced by pass 53 Test12= 1.87D-13 2.78D-09 XBig12= 2.12D-14 3.88D-09.
      1 vectors produced by pass 54 Test12= 1.87D-13 2.78D-09 XBig12= 1.61D-14 4.18D-09.
      1 vectors produced by pass 55 Test12= 1.87D-13 2.78D-09 XBig12= 1.62D-14 5.06D-09.
      1 vectors produced by pass 56 Test12= 1.87D-13 2.78D-09 XBig12= 1.45D-14 4.85D-09.
      1 vectors produced by pass 57 Test12= 1.87D-13 2.78D-09 XBig12= 1.29D-14 4.06D-09.
      1 vectors produced by pass 58 Test12= 1.87D-13 2.78D-09 XBig12= 1.11D-14 3.57D-09.
      1 vectors produced by pass 59 Test12= 1.87D-13 2.78D-09 XBig12= 1.27D-14 4.19D-09.
      1 vectors produced by pass 60 Test12= 1.87D-13 2.78D-09 XBig12= 1.78D-14 4.97D-09.
      1 vectors produced by pass 61 Test12= 1.87D-13 2.78D-09 XBig12= 1.42D-14 4.13D-09.
      1 vectors produced by pass 62 Test12= 1.87D-13 2.78D-09 XBig12= 1.23D-14 4.05D-09.
      1 vectors produced by pass 63 Test12= 1.87D-13 2.78D-09 XBig12= 1.26D-14 4.10D-09.
      1 vectors produced by pass 64 Test12= 1.87D-13 2.78D-09 XBig12= 1.35D-14 4.67D-09.
      1 vectors produced by pass 65 Test12= 1.87D-13 2.78D-09 XBig12= 1.22D-14 4.59D-09.
      1 vectors produced by pass 66 Test12= 1.87D-13 2.78D-09 XBig12= 1.54D-14 5.24D-09.
      1 vectors produced by pass 67 Test12= 1.87D-13 2.78D-09 XBig12= 1.39D-14 5.11D-09.
      1 vectors produced by pass 68 Test12= 1.87D-13 2.78D-09 XBig12= 1.26D-14 4.17D-09.
      1 vectors produced by pass 69 Test12= 1.87D-13 2.78D-09 XBig12= 1.05D-14 4.26D-09.
      1 vectors produced by pass 70 Test12= 1.87D-13 2.78D-09 XBig12= 1.32D-14 3.43D-09.
      1 vectors produced by pass 71 Test12= 1.87D-13 2.78D-09 XBig12= 1.12D-14 3.91D-09.
      1 vectors produced by pass 72 Test12= 1.87D-13 2.78D-09 XBig12= 1.34D-14 4.42D-09.
      1 vectors produced by pass 73 Test12= 1.87D-13 2.78D-09 XBig12= 9.80D-15 3.72D-09.
      1 vectors produced by pass 74 Test12= 1.87D-13 2.78D-09 XBig12= 1.27D-14 3.81D-09.
      1 vectors produced by pass 75 Test12= 1.87D-13 2.78D-09 XBig12= 1.25D-14 3.77D-09.
      1 vectors produced by pass 76 Test12= 1.87D-13 2.78D-09 XBig12= 1.11D-14 3.66D-09.
      1 vectors produced by pass 77 Test12= 1.87D-13 2.78D-09 XBig12= 1.13D-14 3.58D-09.
      1 vectors produced by pass 78 Test12= 1.87D-13 2.78D-09 XBig12= 1.07D-14 3.40D-09.
      1 vectors produced by pass 79 Test12= 1.87D-13 2.78D-09 XBig12= 1.22D-14 3.61D-09.
      1 vectors produced by pass 80 Test12= 1.87D-13 2.78D-09 XBig12= 1.32D-14 4.64D-09.
      1 vectors produced by pass 81 Test12= 1.87D-13 2.78D-09 XBig12= 9.89D-15 3.62D-09.
      1 vectors produced by pass 82 Test12= 1.87D-13 2.78D-09 XBig12= 1.06D-14 3.27D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.89D-15
 Solved reduced A of dimension   437 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  296065 ScalPx= 1.63D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  296065 ScalPx= 1.63D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  296065 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.70D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.451325D+03 -0.184933D+02  0.465362D+02
      2  -0.184933D+02  0.416204D+03  0.438390D+02
      3   0.465362D+02  0.438390D+02  0.245987D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.200357D+03 -0.371360D+02  0.148103D+03
      2  -0.116661D+03 -0.762052D+02 -0.548371D+02
      3   0.137462D+03  0.658829D+03 -0.234174D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.682728D+03  0.466493D+02 -0.320503D+03
      2   0.235863D+03  0.134392D+02 -0.218549D+02
      3   0.446865D+03 -0.600885D+02  0.342358D+03
      4   0.110539D+03 -0.373974D+03 -0.324119D+03
      5  -0.126400D+03 -0.196779D+03  0.496192D+02
      6  -0.305162D+03  0.106592D+03 -0.178635D+03
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.130222D+01  0.163727D+01 -0.233786D+00  0.649383D+00 -0.103207D+01
      2   0.163727D+01 -0.209817D+01  0.535941D+00 -0.103207D+01  0.228180D+01
      3  -0.233786D+00  0.535941D+00 -0.109035D+01 -0.429561D+00  0.309215D-01
                 6             7             8             9            10 
      1  -0.429561D+00 -0.169361D+00  0.175000D+00 -0.708907D+00 -0.415721D+01
      2   0.309215D-01  0.175000D+00 -0.311244D+00  0.105472D+01  0.819620D-01
      3   0.126522D+01 -0.708907D+00  0.105472D+01  0.160043D-01 -0.232920D+01
                11            12            13            14            15 
      1   0.819620D-01 -0.232920D+01 -0.223520D+01 -0.394842D+00 -0.157492D+01
      2  -0.693609D+00 -0.184619D+01 -0.394842D+00  0.215318D+01 -0.183441D+01
      3  -0.184619D+01 -0.757105D+01 -0.157492D+01 -0.183441D+01 -0.171857D+01
                16            17            18            19            20 
      1  -0.325655D+01 -0.228780D+00 -0.546174D+01  0.499536D+01 -0.987663D+00
      2  -0.228780D+00 -0.447461D+01  0.607525D+00 -0.987663D+00  0.332358D+01
      3  -0.546174D+01  0.607525D+00 -0.680394D+01  0.272165D+01  0.321049D+00
                21            22            23            24            25 
      1   0.272165D+01  0.281178D+01  0.193703D+01  0.238874D+01  0.365298D+01
      2   0.321049D+00  0.193703D+01  0.465318D+00  0.386122D+00 -0.132267D+01
      3  -0.350425D+00  0.238874D+01  0.386122D+00  0.837583D+00  0.382874D+01
                26            27            28            29            30 
      1  -0.132267D+01  0.382874D+01  0.763551D+00  0.271915D+00  0.137502D+01
      2   0.107301D+01 -0.178767D+01  0.271915D+00  0.628844D-01  0.687180D-01
      3  -0.178767D+01  0.112331D+02  0.137502D+01  0.687180D-01  0.178689D+01
                31            32            33            34            35 
      1   0.244950D+00  0.815595D+00  0.112900D+01  0.137029D+01  0.115193D+01
      2   0.815595D+00  0.208772D+01  0.295298D+01  0.115193D+01  0.197222D+01
      3   0.112900D+01  0.295298D+01  0.554136D+01  0.195612D+01  0.312567D+01
                36            37            38            39            40 
      1   0.195612D+01  0.512760D+01  0.124439D+01  0.182251D+01  0.759684D+01
      2   0.312567D+01  0.124439D+01  0.215422D+01  0.107937D+01 -0.156418D+01
      3   0.612627D+01  0.182251D+01  0.107937D+01  0.302775D+01  0.199210D+01
                41            42            43            44            45 
      1  -0.156418D+01  0.199210D+01  0.459002D+01 -0.392728D+01  0.542062D+01
      2   0.270890D+01 -0.505033D+00 -0.392728D+01  0.404678D+01 -0.319171D+01
      3  -0.505033D+00 -0.180844D+01  0.542062D+01 -0.319171D+01  0.984068D+01
                46            47            48            49            50 
      1   0.790445D+01 -0.142679D+01  0.611192D+01 -0.779610D+00  0.833627D+00
      2  -0.142679D+01  0.648388D+00 -0.132923D+01  0.833627D+00 -0.265837D+00
      3   0.611192D+01 -0.132923D+01  0.572964D+01  0.119162D+00  0.636223D+00
                51            52            53            54            55 
      1   0.119162D+00  0.544674D+01 -0.292697D+00  0.473176D+01 -0.769895D+00
      2   0.636223D+00 -0.292697D+00  0.317593D+00 -0.296492D+00  0.948022D+00
      3   0.100440D+01  0.473176D+01 -0.296492D+00  0.469445D+01 -0.331105D+01
                56            57            58            59            60 
      1   0.948022D+00 -0.331105D+01 -0.556808D+01  0.788343D+00 -0.522993D+01
      2  -0.186600D+01  0.206654D+01  0.788343D+00 -0.482726D+01  0.396768D+01
      3   0.206654D+01 -0.182501D+01 -0.522993D+01  0.396768D+01 -0.646214D+01
                61            62            63            64            65 
      1  -0.995261D+01  0.192751D+01 -0.558713D+01  0.506749D+01 -0.429761D+01
      2   0.192751D+01  0.652107D+00  0.173199D+00 -0.429761D+01  0.429373D+01
      3  -0.558713D+01  0.173199D+00 -0.608922D+01  0.103792D+01 -0.109493D+01
                66            67            68            69            70 
      1   0.103792D+01 -0.464191D+01  0.460507D+01 -0.440601D+00  0.454915D+00
      2  -0.109493D+01  0.460507D+01 -0.544761D+01  0.652148D+00  0.377586D-01
      3   0.681642D+00 -0.440601D+00  0.652148D+00 -0.417431D+00  0.501312D+00
                71            72            73            74            75 
      1   0.377586D-01  0.501312D+00  0.125022D+02 -0.320836D+01  0.113626D+02
      2  -0.657506D+00 -0.596328D+00 -0.320836D+01  0.211907D+01 -0.156026D+01
      3  -0.596328D+00  0.945914D-01  0.113626D+02 -0.156026D+01  0.108173D+02
                76            77            78            79            80 
      1  -0.165281D+02  0.361249D+01 -0.183890D+02 -0.213733D+01 -0.724005D-01
      2   0.361249D+01 -0.637881D+01 -0.343904D+00 -0.724005D-01 -0.532493D+00
      3  -0.183890D+02 -0.343904D+00 -0.209857D+02 -0.203882D+01 -0.220444D+01
                81            82            83            84            85 
      1  -0.203882D+01  0.178459D+02 -0.104940D+02  0.942449D+01  0.761200D+01
      2  -0.220444D+01 -0.104940D+02  0.181019D+02 -0.114371D+01 -0.185371D+01
      3  -0.522870D+01  0.942449D+01 -0.114371D+01  0.121637D+02  0.580446D+01
                86            87            88            89            90 
      1  -0.185371D+01  0.580446D+01  0.106582D+02 -0.616968D+01  0.127570D+02
      2  -0.117998D+01  0.210898D+01 -0.616968D+01  0.158471D+02 -0.460897D+01
      3   0.210898D+01  0.673038D+01  0.127570D+02 -0.460897D+01  0.140240D+02
                91            92            93            94            95 
      1  -0.221547D+02  0.494946D+01 -0.185644D+02  0.981846D+01 -0.317214D+00
      2   0.494946D+01 -0.553570D+01  0.145402D+01 -0.317214D+00  0.415825D+01
      3  -0.185644D+02  0.145402D+01 -0.183250D+02  0.128198D+02  0.924479D+00
                96            97            98            99           100 
      1   0.128198D+02 -0.398009D+01  0.295581D+01 -0.333204D+01  0.108714D+02
      2   0.924479D+00  0.295581D+01 -0.861634D+00  0.288615D+01  0.181729D+01
      3   0.148934D+02 -0.333204D+01  0.288615D+01 -0.284509D+01  0.965501D+01
               101           102           103           104           105 
      1   0.181729D+01  0.965501D+01  0.262978D+02 -0.225803D+02  0.153868D+02
      2  -0.529386D+01 -0.133226D+00 -0.225803D+02  0.402737D+02 -0.929813D+01
      3  -0.133226D+00  0.861866D+01  0.153868D+02 -0.929813D+01  0.989131D+01
               106           107           108           109           110 
      1   0.189463D+02 -0.102301D+02  0.134992D+02 -0.741722D+01 -0.486085D+01
      2  -0.102301D+02  0.168033D+02 -0.406627D+01 -0.486085D+01  0.826497D+01
      3   0.134992D+02 -0.406627D+01  0.117701D+02 -0.821363D+01  0.823967D+00
               111           112           113           114           115 
      1  -0.821363D+01 -0.290745D+02  0.263037D+02 -0.178456D+02 -0.154900D+02
      2   0.823967D+00  0.263037D+02 -0.464959D+02  0.121914D+02  0.946909D+01
      3  -0.555189D+01 -0.178456D+02  0.121914D+02 -0.114010D+02 -0.117276D+02
               116           117           118           119           120 
      1   0.946909D+01 -0.117276D+02 -0.222456D+02  0.190706D+02 -0.116883D+02
      2  -0.134684D+02  0.320864D+01  0.190706D+02 -0.330667D+02  0.837766D+01
      3   0.320864D+01 -0.102392D+02 -0.116883D+02  0.837766D+01 -0.901986D+01
               121           122           123           124           125 
      1   0.621503D+01 -0.124190D+02  0.390739D+01 -0.937570D+01  0.909838D+01
      2  -0.124190D+02  0.145375D+02 -0.478294D+01  0.909838D+01 -0.119095D+02
      3   0.390739D+01 -0.478294D+01  0.297457D+01 -0.650900D+01  0.180413D+01
               126           127           128           129           130 
      1  -0.650900D+01  0.200030D+02 -0.103602D+02  0.670297D+01  0.554112D+00
      2   0.180413D+01 -0.103602D+02  0.674018D+02 -0.570745D+01  0.148352D+02
      3  -0.117566D+02  0.670297D+01 -0.570745D+01  0.239762D+01 -0.774047D+00
               131           132           133           134           135 
      1   0.148352D+02 -0.774047D+00  0.608155D+01  0.141768D+01  0.154770D+01
      2   0.181072D+02  0.427281D+01  0.141768D+01  0.248231D+02 -0.335884D+00
      3   0.427281D+01 -0.377094D-01  0.154770D+01 -0.335884D+00  0.500803D+00
               136           137           138           139           140 
      1  -0.198110D+02  0.761140D+01 -0.586048D+01 -0.798611D+00 -0.874205D+01
      2   0.761140D+01 -0.672937D+02  0.657429D+01 -0.874205D+01 -0.147462D+02
      3  -0.586048D+01  0.657429D+01 -0.143639D+01 -0.595010D+00 -0.186689D+01
               141           142           143           144           145 
      1  -0.595010D+00 -0.463642D+01  0.138244D+01 -0.440109D+01 -0.115951D+02
      2  -0.186689D+01  0.138244D+01 -0.234630D+02  0.145034D+01 -0.128888D-01
      3  -0.420256D+00 -0.440109D+01  0.145034D+01 -0.215162D+01 -0.496695D+01
               146           147           148           149           150 
      1  -0.128888D-01 -0.496695D+01  0.109048D+02  0.929857D+00  0.915250D+01
      2  -0.124051D+02 -0.919107D-01  0.929857D+00  0.366364D+02 -0.186793D+01
      3  -0.919107D-01 -0.520017D+01  0.915250D+01 -0.186793D+01  0.741519D+01
               151           152           153           154           155 
      1   0.271825D+01  0.225803D+01 -0.321426D+01  0.172267D+02 -0.392140D+01
      2   0.225803D+01  0.559264D+01  0.235985D+00 -0.392140D+01  0.142057D+02
      3  -0.321426D+01  0.235985D+00 -0.469450D+01  0.130753D+02 -0.227059D+01
               156           157           158           159           160 
      1   0.130753D+02 -0.132439D+02 -0.160546D+01 -0.604992D+01  0.413916D+01
      2  -0.227059D+01 -0.160546D+01 -0.217074D+02  0.252702D+01 -0.123030D+00
      3   0.104649D+02 -0.604992D+01  0.252702D+01 -0.482364D+01  0.300800D+01
               161           162           163           164           165 
      1  -0.123030D+00  0.300800D+01  0.353022D+02  0.191112D+02 -0.178289D+01
      2   0.215021D+01 -0.533137D+01  0.191112D+02  0.304944D+02 -0.336479D+00
      3  -0.533137D+01 -0.558319D+00 -0.178289D+01 -0.336479D+00  0.731937D+00
               166           167           168           169           170 
      1  -0.163739D+02 -0.157741D+02 -0.397383D+00 -0.420114D+01 -0.456850D+01
      2  -0.157741D+02 -0.497411D+02 -0.222438D+01 -0.456850D+01 -0.149033D+02
      3  -0.397383D+00 -0.222438D+01 -0.235527D+00  0.588366D+00 -0.108665D+01
               171           172           173           174           175 
      1   0.588366D+00 -0.316430D+02 -0.178650D+02  0.184658D+01  0.211856D+02
      2  -0.108665D+01 -0.178650D+02 -0.275289D+02  0.115242D+01  0.214497D+02
      3  -0.310730D+00  0.184658D+01  0.115242D+01  0.634439D+00 -0.142340D+00
               176           177           178           179           180 
      1   0.214497D+02 -0.142340D+00  0.389325D+01  0.454284D+01 -0.183605D+01
      2   0.601010D+02  0.126246D+01  0.454284D+01  0.133311D+02  0.225117D+01
      3   0.126246D+01  0.159409D+00 -0.183605D+01  0.225117D+01  0.950252D+00
               181           182           183           184           185 
      1   0.147013D+02  0.904190D+01 -0.275867D+00  0.235923D+02  0.246072D+01
      2   0.904190D+01  0.104078D+02 -0.173941D+01  0.246072D+01  0.268647D+02
      3  -0.275867D+00 -0.173941D+01 -0.106655D+01  0.289967D+01 -0.414250D+01
               186           187           188           189           190 
      1   0.289967D+01  0.101615D+02  0.133613D+01 -0.304299D+01 -0.496743D+01
      2  -0.414250D+01  0.133613D+01  0.624426D+01  0.320309D+01 -0.440576D+01
      3   0.234077D+01 -0.304299D+01  0.320309D+01  0.669819D+00  0.178123D+01
               191           192           193           194           195 
      1  -0.440576D+01  0.178123D+01 -0.237886D+02  0.352262D+01 -0.296998D-01
      2   0.382915D+01 -0.146443D+01  0.352262D+01 -0.386393D+02  0.493145D+01
      3  -0.146443D+01 -0.120303D+01 -0.296998D-01  0.493145D+01 -0.117744D+01
               196           197           198           199           200 
      1  -0.485636D+01  0.178048D+01 -0.479165D+01 -0.166620D+02 -0.124340D+02
      2   0.178048D+01 -0.709406D+01 -0.673234D+00 -0.124340D+02 -0.914470D+01
      3  -0.479165D+01 -0.673234D+00 -0.237608D+01 -0.562474D-01  0.100187D+01
               201           202           203           204           205 
      1  -0.562474D-01 -0.409555D+02 -0.801087D+01  0.944784D+01 -0.181373D+02
      2   0.100187D+01 -0.801087D+01 -0.109277D+02  0.180265D+00 -0.254355D+01
      3  -0.124678D+00  0.944784D+01  0.180265D+00 -0.217366D+01  0.303854D+01
               206           207           208           209           210 
      1  -0.254355D+01  0.303854D+01 -0.279727D+02 -0.147391D+02  0.418527D+01
      2  -0.360336D+01 -0.117671D+01 -0.147391D+02 -0.367101D+02 -0.184506D+01
      3  -0.117671D+01 -0.150081D+01  0.418527D+01 -0.184506D+01 -0.437315D+01
               211           212           213           214           215 
      1  -0.131551D+02 -0.166145D+02  0.224686D+01 -0.182597D+01 -0.259906D+01
      2  -0.166145D+02 -0.366489D+02 -0.156948D+01 -0.259906D+01 -0.957577D+01
      3   0.224686D+01 -0.156948D+01 -0.811939D+00 -0.480779D+01  0.112891D+01
               216           217           218           219           220 
      1  -0.480779D+01  0.426120D+02  0.136055D+02 -0.855727D+01 -0.628854D+01
      2   0.112891D+01  0.136055D+02  0.303232D+02  0.128176D+01  0.179308D+00
      3   0.248429D+01 -0.855727D+01  0.128176D+01  0.452563D+01  0.193809D+01
               221           222           223           224           225 
      1   0.179308D+00  0.193809D+01 -0.449269D+01 -0.377561D+00  0.336566D+01
      2   0.998598D+01 -0.140963D+01 -0.377561D+00 -0.764634D+00  0.547358D+01
      3  -0.140963D+01  0.434690D+00  0.336566D+01  0.547358D+01  0.197147D+01
               226           227           228           229           230 
      1  -0.907236D+01  0.322702D+01  0.449798D+01  0.460466D+02  0.108213D+02
      2   0.322702D+01  0.186182D+01 -0.324276D+00  0.108213D+02  0.128045D+02
      3   0.449798D+01 -0.324276D+00 -0.160986D+01 -0.105562D+02 -0.138535D+00
               231           232           233           234           235 
      1  -0.105562D+02  0.165533D+02  0.336323D+01 -0.440174D+01 -0.517662D+01
      2  -0.138535D+00  0.336323D+01  0.282484D+01  0.147875D+01 -0.603637D+01
      3   0.212132D+01 -0.440174D+01  0.147875D+01  0.240379D+01 -0.788752D+00
               236           237           238           239           240 
      1  -0.603637D+01 -0.788752D+00  0.412251D+01  0.298008D+01 -0.252385D+00
      2  -0.643632D+01  0.653499D+00  0.298008D+01  0.408523D+01 -0.210446D+01
      3   0.653499D+00  0.205071D+00 -0.252385D+00 -0.210446D+01  0.815763D+00
               241           242           243           244           245 
      1   0.435727D+01  0.258735D+01  0.160154D+01  0.131615D+02  0.385962D+01
      2   0.258735D+01 -0.208439D+00  0.261328D+01  0.385962D+01  0.818943D+01
      3   0.160154D+01  0.261328D+01  0.237820D+01 -0.165378D+01  0.638708D+00
               246           247           248           249           250 
      1  -0.165378D+01  0.597526D+01 -0.387426D+01 -0.577936D+01  0.108858D+01
      2   0.638708D+00 -0.387426D+01 -0.307342D+01 -0.674182D+00 -0.421471D+01
      3   0.310331D+01 -0.577936D+01 -0.674182D+00  0.134430D+01  0.246330D+01
               251           252           253           254           255 
      1  -0.421471D+01  0.246330D+01  0.194880D+02  0.324974D+01 -0.474823D+01
      2  -0.474004D+01  0.184964D+01  0.324974D+01  0.447686D+01  0.442623D+00
      3   0.184964D+01 -0.121219D+01 -0.474823D+01  0.442623D+00  0.139900D+01
               256           257           258           259           260 
      1  -0.529993D+01  0.164822D+01  0.142828D+01 -0.585512D+01 -0.120889D+01
      2   0.164822D+01  0.269140D+01  0.126960D+00 -0.120889D+01  0.627634D+00
      3   0.142828D+01  0.126960D+00  0.875488D+00  0.396107D+01  0.909330D+00
               261           262           263           264           265 
      1   0.396107D+01 -0.242535D+02  0.527871D+00  0.806099D+01 -0.141480D+01
      2   0.909330D+00  0.527871D+00 -0.347149D+01 -0.172986D+01 -0.710365D+00
      3  -0.206038D+01  0.806099D+01 -0.172986D+01 -0.342222D+01  0.156168D+01
               266           267           268           269           270 
      1  -0.710365D+00  0.156168D+01  0.283927D+01  0.125221D+01 -0.160697D+01
      2  -0.306979D+01  0.768495D+00  0.125221D+01  0.360478D+01 -0.224303D+01
      3   0.768495D+00 -0.116722D+01 -0.160697D+01 -0.224303D+01 -0.841799D+00
               271           272           273           274           275 
      1   0.326207D+01 -0.426156D+01  0.653170D-01 -0.299395D+01  0.455848D+01
      2  -0.426156D+01  0.628571D+01 -0.121973D+00  0.455848D+01 -0.879157D+01
      3   0.653170D-01 -0.121973D+00  0.760773D+00  0.814121D+00 -0.104483D+01
               276           277           278           279           280 
      1   0.814121D+00  0.873637D+00  0.106507D+00  0.737304D+00 -0.818092D+00
      2  -0.104483D+01  0.106507D+00 -0.144329D+01 -0.548599D+00 -0.591472D+00
      3  -0.289647D+00  0.737304D+00 -0.548599D+00 -0.808001D-01 -0.107758D+01
               281           282           283           284           285 
      1  -0.591472D+00 -0.107758D+01 -0.162813D+00 -0.118571D+01 -0.343833D+00
      2  -0.179798D+01 -0.695889D+00 -0.118571D+01 -0.989550D+01 -0.469948D+01
      3  -0.695889D+00 -0.135847D+01 -0.343833D+00 -0.469948D+01 -0.311488D+01
               286           287           288           289           290 
      1  -0.966826D+00 -0.125634D+01 -0.653860D+00 -0.119823D+02 -0.317086D+01
      2  -0.125634D+01 -0.512024D+01 -0.346796D+01 -0.317086D+01 -0.114988D+01
      3  -0.653860D+00 -0.346796D+01 -0.197107D+01 -0.494724D+01 -0.114068D+01
               291           292           293           294           295 
      1  -0.494724D+01 -0.159733D+01 -0.204118D+01 -0.110177D+01 -0.470778D+01
      2  -0.114068D+01 -0.204118D+01  0.495695D-02 -0.813383D+00 -0.135051D+01
      3  -0.284535D+01 -0.110177D+01 -0.813383D+00 -0.952577D+00 -0.196256D+01
               296           297           298           299           300 
      1  -0.135051D+01 -0.196256D+01 -0.136728D+01 -0.227360D+01 -0.101345D+01
      2  -0.879033D+00 -0.106331D+01 -0.227360D+01 -0.143496D+01 -0.167187D+01
      3  -0.106331D+01 -0.101331D+01 -0.101345D+01 -0.167187D+01 -0.987924D+00
               301           302           303           304           305 
      1  -0.215800D+01 -0.351421D+01 -0.193297D+01 -0.109753D+01 -0.269097D+01
      2  -0.351421D+01 -0.961393D+01 -0.474060D+01 -0.269097D+01 -0.476471D+01
      3  -0.193297D+01 -0.474060D+01 -0.297728D+01 -0.130367D+01 -0.247119D+01
               306           307           308           309           310 
      1  -0.130367D+01 -0.879021D+01  0.577211D+01  0.358966D+00  0.628140D+01
      2  -0.247119D+01  0.577211D+01 -0.326116D+01 -0.560052D-01 -0.501422D+01
      3  -0.211209D+01  0.358966D+00 -0.560052D-01 -0.604051D+00 -0.642912D+00
               311           312           313           314           315 
      1  -0.501422D+01 -0.642912D+00  0.710036D+00 -0.818261D+00 -0.412656D+00
      2   0.550796D+01  0.705244D+00 -0.818261D+00  0.126854D+01 -0.209888D+00
      3   0.705244D+00  0.460710D+00 -0.412656D+00 -0.209888D+00  0.207698D+00
               316           317           318           319           320 
      1  -0.151074D+02 -0.783823D+00 -0.322082D+01 -0.193282D+01 -0.139503D+01
      2  -0.783823D+00 -0.158681D+00 -0.207105D+00 -0.139503D+01 -0.131533D+01
      3  -0.322082D+01 -0.207105D+00 -0.140695D+01 -0.847561D+00 -0.493342D+00
               321           322           323           324           325 
      1  -0.847561D+00 -0.417598D+01 -0.592040D+00 -0.101891D+01 -0.656826D+01
      2  -0.493342D+00 -0.592040D+00  0.868177D-01  0.335109D+00  0.474763D+01
      3  -0.302475D+00 -0.101891D+01  0.335109D+00 -0.583614D+00  0.148965D+01
               326           327           328           329           330 
      1   0.474763D+01  0.148965D+01  0.345840D+01 -0.520809D+01 -0.149667D+01
      2  -0.546592D+01 -0.131479D+01 -0.520809D+01  0.625537D+01  0.158481D+01
      3  -0.131479D+01 -0.854814D+00 -0.149667D+01  0.158481D+01  0.106191D+01
               331           332           333           334           335 
      1   0.106850D+01 -0.187168D+01 -0.485270D-01  0.111216D+01  0.180400D+01
      2  -0.187168D+01  0.992530D+00  0.977867D+00  0.180400D+01  0.230739D+01
      3  -0.485270D-01  0.977867D+00  0.209523D+00  0.225171D+00  0.442697D+00
               336           337           338           339           340 
      1   0.225171D+00  0.471153D+00  0.394684D+00  0.237026D+00 -0.347991D+00
      2   0.442697D+00  0.394684D+00  0.134336D+02  0.380162D+01 -0.160780D-01
      3   0.232516D+00  0.237026D+00  0.380162D+01  0.172906D+01 -0.247667D+00
               341           342           343           344           345 
      1  -0.160780D-01 -0.247667D+00  0.131607D+01  0.188720D+01  0.417711D+00
      2   0.469018D+01  0.114724D+01  0.188720D+01  0.263096D+01  0.524711D+00
      3   0.114724D+01  0.844157D+00  0.417711D+00  0.524711D+00  0.375192D+00
               346           347           348           349           350 
      1   0.142958D+01  0.340222D+01  0.106539D+01  0.672088D+00  0.900879D+00
      2   0.340222D+01  0.111136D+02  0.298117D+01  0.900879D+00  0.372679D+01
      3   0.106539D+01  0.298117D+01  0.151527D+01  0.249107D+00  0.131577D+01
               351           352           353           354           355 
      1   0.249107D+00  0.101068D+02  0.473506D+01 -0.423882D+00  0.319748D+01
      2   0.131577D+01  0.473506D+01  0.295997D+01 -0.150331D+00  0.247755D+01
      3   0.699588D+00 -0.423882D+00 -0.150331D+00  0.723311D+00  0.400228D+00
               356           357           358           359           360 
      1   0.247755D+01  0.400228D+00 -0.837841D-02  0.473229D+00  0.783615D-01
      2   0.222412D+01  0.163473D+00  0.473229D+00  0.577490D+00  0.169171D+00
      3   0.163473D+00  0.249991D+00  0.783615D-01  0.169171D+00  0.323775D+00
               361           362           363           364           365 
      1   0.118956D+02 -0.233248D+01 -0.262584D+01  0.132815D+01  0.583640D+01
      2  -0.233248D+01  0.179949D+01  0.185273D+00  0.583640D+01 -0.293270D+01
      3  -0.262584D+01  0.185273D+00  0.219163D+01 -0.205833D+00 -0.264592D+01
               366           367           368           369           370 
      1  -0.205833D+00 -0.454188D+00  0.838915D+00  0.557560D+01 -0.143119D+01
      2  -0.264592D+01  0.838915D+00 -0.118747D+01 -0.146102D+01 -0.737359D+00
      3  -0.112577D+01  0.557560D+01 -0.146102D+01 -0.656227D+01  0.121475D+00
               371           372           373           374           375 
      1  -0.737359D+00  0.121475D+00 -0.802484D+00 -0.540816D+00  0.318413D+00
      2  -0.132956D+01  0.350550D+00 -0.540816D+00 -0.278420D+01  0.432243D-01
      3   0.350550D+00 -0.343693D+00  0.318413D+00  0.432243D-01 -0.125880D+01
               376           377           378 
      1  -0.150574D+00 -0.580599D+00  0.206377D+00
      2  -0.580599D+00 -0.129036D+01 -0.578546D+00
      3   0.206377D+00 -0.578546D+00 -0.450277D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.762819D+01 -0.121370D+02  0.297632D+01 -0.680122D+01  0.139758D+02
      2   0.702374D+01 -0.900540D+01  0.382821D+01 -0.478553D+01  0.816809D+01
      3  -0.410386D+01  0.121816D+01  0.263143D+00  0.663248D+01 -0.689673D+01
                 6             7             8             9            10 
      1  -0.305298D+01  0.950756D+00  0.104672D+01  0.489237D+01 -0.163508D+02
      2  -0.129247D+01  0.132712D+01 -0.102023D+01  0.342298D+01  0.876149D+01
      3   0.265469D+01 -0.220041D+01 -0.342184D+00 -0.391284D+01  0.263862D+02
                11            12            13            14            15 
      1   0.585957D+01 -0.337819D+02 -0.121406D+02  0.159718D+02 -0.156231D+02
      2   0.643484D+01 -0.415054D+01  0.348797D+01  0.750777D+01  0.361810D+01
      3  -0.150278D+02  0.379601D+02  0.219164D+02 -0.218820D+02  0.156053D+02
                16            17            18            19            20 
      1  -0.176476D+02 -0.540169D+01 -0.606492D+01  0.135495D+02  0.477346D+01
      2  -0.113507D+02  0.833521D+01  0.230048D+01 -0.168761D+00 -0.197278D+01
      3   0.256449D+02 -0.882085D+01  0.252273D+02 -0.233804D+02  0.602690D+01
                21            22            23            24            25 
      1   0.166900D+02  0.143162D+02  0.965752D+01  0.866063D+00  0.786221D+01
      2   0.338770D+01 -0.242186D+01 -0.731753D+01 -0.412296D+01 -0.696325D+01
      3  -0.299184D+02 -0.125087D+02 -0.263115D+02 -0.290862D+01 -0.230258D+02
                26            27            28            29            30 
      1  -0.670289D+00  0.235783D+02  0.257042D+01 -0.161172D+01  0.212860D+01
      2   0.549539D+01  0.712981D+01  0.216822D+00 -0.140273D+01 -0.159998D+00
      3   0.146370D+02 -0.349014D+02 -0.328168D+01  0.159198D+01 -0.418447D+01
                31            32            33            34            35 
      1   0.376786D+01  0.135109D+02  0.158350D+02  0.726758D+01  0.155128D+02
      2  -0.291068D+00  0.224561D+01  0.681589D+01 -0.354818D+01  0.152126D+01
      3  -0.135538D+01 -0.805924D+01 -0.131283D+02 -0.314122D+01 -0.987263D+01
                36            37            38            39            40 
      1   0.177346D+02  0.166019D+02  0.601901D+01  0.669941D+01  0.893470D+01
      2   0.225407D+01 -0.788578D+01 -0.240013D+01  0.860303D+00 -0.134028D+02
      3  -0.109705D+02 -0.293223D+02 -0.161701D+02 -0.112353D+02 -0.328177D+02
                41            42            43            44            45 
      1  -0.907263D+01  0.559953D+01  0.939273D+01 -0.101095D+01  0.294632D+02
      2  -0.996981D+00 -0.159514D+01  0.127431D+01 -0.190685D+01  0.115551D+02
      3   0.127282D+02 -0.132700D+02 -0.227648D+02  0.317909D+02 -0.276003D+02
                46            47            48            49            50 
      1   0.898760D+01  0.725847D+00  0.835909D+01  0.218511D+01  0.674863D+00
      2  -0.956324D+01  0.424423D+00 -0.113673D+01  0.392263D+01 -0.143034D+01
      3  -0.165190D+02 -0.316888D-01 -0.123680D+02  0.700494D+00 -0.978621D+00
                51            52            53            54            55 
      1   0.406912D+01  0.107023D+02  0.244424D+01  0.970275D+01 -0.236634D+02
      2   0.323027D+01 -0.773150D+01  0.643605D+00 -0.260745D+01 -0.121928D+02
      3  -0.250183D+01 -0.159279D+02 -0.282588D+01 -0.136533D+02  0.169524D+02
                56            57            58            59            60 
      1   0.182141D+02 -0.165188D+02 -0.212243D+02  0.381372D+01 -0.227185D+02
      2   0.164656D+02  0.284110D+01  0.327450D+01  0.123825D+02 -0.257112D+01
      3  -0.252353D+02  0.173888D+02  0.340507D+02 -0.341885D+01  0.191869D+02
                61            62            63            64            65 
      1  -0.279180D+02  0.261672D+02 -0.297230D+02 -0.548476D+01  0.500769D+01
      2  -0.432761D+01  0.579318D+01 -0.184803D+02 -0.770915D+01  0.572213D+01
      3   0.580995D+02 -0.493971D+02  0.421238D+02 -0.850296D+01  0.217869D+01
                66            67            68            69            70 
      1   0.341464D+00  0.720219D+01 -0.863185D+01 -0.307330D+01  0.738422D+00
      2   0.514429D+00  0.898342D+01 -0.894525D+01 -0.200400D+01 -0.137634D+01
      3   0.896608D-01  0.824634D+01 -0.340094D+01  0.104236D+01 -0.755040D+00
                71            72            73            74            75 
      1  -0.260956D+01 -0.142357D+01  0.516968D+02 -0.258989D+02  0.515112D+02
      2  -0.728288D+00 -0.137880D+01  0.200000D+02 -0.761172D+01  0.164886D+02
      3   0.332761D+01  0.392752D+00 -0.905204D+02  0.525057D+02 -0.821987D+02
                76            77            78            79            80 
      1  -0.802034D+02 -0.319583D+02 -0.979737D+02 -0.134349D+01 -0.237188D+02
      2  -0.229042D+01 -0.243846D+02 -0.934792D+01 -0.352126D+01 -0.144014D+02
      3   0.131975D+03 -0.215268D+01  0.160147D+03  0.206445D+02  0.374171D+02
                81            82            83            84            85 
      1  -0.157367D+02  0.450021D+02 -0.504535D+01  0.513477D+02  0.183768D+02
      2  -0.112762D+02  0.198004D+02 -0.210696D+00  0.149267D+02  0.624641D+01
      3   0.318753D+02 -0.152676D+03  0.996311D+02 -0.862372D+02 -0.587097D+02
                86            87            88            89            90 
      1   0.255885D+02  0.250399D+02  0.627297D+02 -0.527213D+01  0.737123D+02
      2   0.166061D+02  0.842890D+01 -0.260875D+01  0.829195D+01  0.516811D+01
      3  -0.971109D+01 -0.579714D+02 -0.959992D+02  0.548213D+02 -0.119722D+03
                91            92            93            94            95 
      1  -0.490585D+02 -0.129448D+02 -0.561446D+02  0.382292D+02  0.453988D+01
      2   0.243286D+02 -0.182907D+02  0.158384D+02  0.677121D+00  0.322989D+01
      3   0.960617D+02 -0.328385D+02  0.898996D+02 -0.643602D+02  0.539670D+01
                96            97            98            99           100 
      1   0.430580D+02  0.302157D+01 -0.110200D+02  0.104980D+01  0.152311D+02
      2  -0.556185D+01  0.513941D+01 -0.110225D+02 -0.370419D+01 -0.635649D+01
      3  -0.761133D+02 -0.141537D+01  0.243436D+02  0.336094D+01 -0.342903D+02
               101           102           103           104           105 
      1   0.878700D+01  0.188508D+02  0.641507D+02 -0.385886D+02  0.334198D+02
      2   0.128377D+02  0.159810D+00  0.108848D+02 -0.850246D+00  0.353419D+01
      3  -0.427059D+02 -0.413209D+02 -0.172322D+03  0.211374D+03 -0.819811D+02
               106           107           108           109           110 
      1   0.362575D+02 -0.172204D+01  0.280592D+02 -0.266743D+02 -0.196001D+02
      2  -0.165104D+02  0.958310D+00 -0.167252D+02  0.155569D+01 -0.203505D+02
      3  -0.860318D+02  0.123857D+03 -0.575441D+02  0.626276D+02  0.566193D+02
               111           112           113           114           115 
      1  -0.251005D+02 -0.954763D+02  0.694221D+02 -0.545745D+02 -0.503728D+02
      2  -0.689859D+01 -0.191824D+02  0.237075D+02 -0.746178D+01 -0.267503D+02
      3   0.593077D+02  0.244005D+03 -0.330748D+03  0.134766D+03  0.119954D+03
               116           117           118           119           120 
      1   0.314744D+02 -0.367067D+02 -0.629688D+02  0.469873D+02 -0.440443D+02
      2   0.127488D+02 -0.990499D+01 -0.126865D+02  0.127373D+02 -0.540338D+01
      3  -0.107281D+03  0.734378D+02  0.195691D+03 -0.218758D+03  0.108244D+03
               121           122           123           124           125 
      1   0.272680D+02 -0.344078D+02  0.144076D+02 -0.361586D+02  0.176896D+02
      2   0.117725D+02 -0.173866D+02  0.527480D+01 -0.182298D+02  0.125546D+02
      3  -0.590559D+02  0.133136D+03 -0.326206D+02  0.721047D+02 -0.875228D+02
               126           127           128           129           130 
      1  -0.525026D+02  0.449410D+02 -0.732574D+02  0.159184D+02 -0.528000D+01
      2  -0.110425D+02  0.102375D+02 -0.369756D+02  0.474267D+01 -0.106265D+02
      3   0.548006D+02 -0.627098D+02  0.362159D+03 -0.279501D+02  0.808400D+02
               131           132           133           134           135 
      1  -0.173012D+02  0.210725D+00  0.569792D+01 -0.680619D+01 -0.553327D+01
      2  -0.179530D+02 -0.166529D+01 -0.198051D+02 -0.156775D+02 -0.701817D+01
      3   0.780772D+02  0.204355D+02  0.292558D+02  0.139174D+03  0.357554D+01
               136           137           138           139           140 
      1  -0.478891D+02  0.939258D+02 -0.187601D+02  0.752056D+01  0.178390D+02
      2  -0.114162D+02  0.704083D+02 -0.701978D+01  0.224079D+02  0.213189D+02
      3   0.692354D+02 -0.480201D+03  0.435329D+02 -0.684403D+02 -0.967094D+02
               141           142           143           144           145 
      1   0.653067D+00 -0.118314D+02  0.589540D+02 -0.214794D+01 -0.174455D+02
      2   0.637494D+01  0.550243D+00  0.305282D+02  0.957051D+00 -0.112291D+02
      3  -0.168026D+02 -0.893516D+01 -0.162362D+03  0.512446D+01  0.518504D+02
               146           147           148           149           150 
      1   0.512681D+01 -0.170617D+02  0.328381D+02 -0.675930D+02  0.266477D+02
      2   0.111704D+02  0.600926D+01 -0.810244D+01 -0.497592D+02 -0.616067D+01
      3  -0.772248D+02  0.212656D+02 -0.179847D+02  0.259587D+03 -0.329531D+02
               151           152           153           154           155 
      1  -0.132431D+02  0.107221D+02 -0.108457D+02  0.557667D+02 -0.203755D+02
      2   0.114825D+02 -0.787184D+01  0.925176D+01  0.212397D+02 -0.208331D+02
      3   0.174015D+01  0.458859D+02  0.141541D+02 -0.122140D+03  0.113052D+03
               156           157           158           159           160 
      1   0.415198D+02 -0.211620D+02  0.319361D+02 -0.216625D+02  0.944288D+01
      2   0.569513D+01 -0.229887D+01  0.109495D+02  0.304682D+01 -0.772500D+01
      3  -0.778740D+02  0.409846D+02 -0.133978D+03  0.342662D+02 -0.451889D+02
               161           162           163           164           165 
      1  -0.899596D+01  0.918016D+01 -0.113022D+02 -0.418141D+02  0.195751D+01
      2   0.286876D+02  0.102755D+02 -0.121760D+02 -0.136479D+02 -0.109648D+01
      3   0.144767D+02 -0.554230D+02  0.146091D+03  0.165351D+03 -0.116437D+01
               166           167           168           169           170 
      1  -0.222893D+01  0.381400D+02  0.645891D+00 -0.832503D+01  0.378695D+02
      2   0.195638D+02  0.263104D+02  0.217941D+01 -0.189480D+02  0.141838D+02
      3  -0.119940D+03 -0.235848D+03 -0.166735D+02 -0.643485D+01 -0.883175D+02
               171           172           173           174           175 
      1  -0.539329D+01  0.233765D+02  0.414333D+02  0.178231D+01 -0.101388D+01
      2   0.224208D+01  0.436524D+02  0.267478D+02 -0.146794D+00 -0.128041D+02
      3  -0.915087D+00 -0.232510D+03 -0.211650D+03  0.277205D+01  0.160374D+03
               176           177           178           179           180 
      1  -0.693818D+02  0.506964D+01  0.116195D+02 -0.766259D+00  0.185366D+01
      2  -0.545159D+02 -0.180114D+01 -0.107635D+02 -0.258080D+02 -0.639723D+01
      3   0.386504D+03  0.727475D+01  0.104420D+02  0.948421D+02  0.336483D+01
               181           182           183           184           185 
      1  -0.195248D+02 -0.235182D+02  0.700227D+00 -0.167544D+01 -0.408560D+02
      2  -0.276758D+02 -0.934315D+01  0.379534D+01 -0.188724D+02 -0.194084D+02
      3   0.133759D+03  0.980787D+02 -0.783908D+01  0.791977D+02  0.198337D+03
               186           187           188           189           190 
      1  -0.126116D+01  0.144080D+02 -0.436638D+01 -0.305520D+01  0.101422D+02
      2  -0.820534D+01 -0.199410D+01 -0.409017D+02 -0.960277D+01  0.502790D+01
      3  -0.181578D+02  0.299971D+02  0.551191D+02  0.167606D+02 -0.521143D+02
               191           192           193           194           195 
      1  -0.108077D+02  0.337909D+01 -0.248669D+02  0.499050D+02 -0.639958D+01
      2  -0.754102D+01  0.946171D+01 -0.117122D+02  0.421769D+02  0.270636D+00
      3   0.354004D+02 -0.107465D+02 -0.395325D+01 -0.291404D+03  0.344941D+02
               196           197           198           199           200 
      1   0.361934D+00  0.344419D+02  0.585871D+01  0.405131D+01  0.163113D+02
      2   0.187763D+02  0.219705D+02  0.115415D+02 -0.673977D+01 -0.554290D+01
      3  -0.724596D+01 -0.450489D+02 -0.138208D+02 -0.489704D+02 -0.378519D+02
               201           202           203           204           205 
      1   0.785829D+00  0.238332D+01  0.120165D+02 -0.106703D+01 -0.656605D+00
      2  -0.125755D+01  0.158503D+02 -0.133329D+00 -0.206418D+01 -0.611910D+01
      3  -0.121696D+01 -0.197873D+03 -0.523250D+02  0.443992D+02 -0.889960D+02
               206           207           208           209           210 
      1   0.233648D+02  0.252830D+01  0.575453D+01  0.403147D+02  0.113578D+02
      2  -0.380212D+00  0.323441D+01  0.250057D+02  0.329487D+02  0.511614D+01
      3  -0.525044D+02  0.176872D+02 -0.200367D+03 -0.228251D+03  0.163715D+02
               211           212           213           214           215 
      1  -0.629271D+01  0.383328D+02 -0.286439D+01  0.309464D+02  0.177298D+02
      2   0.127054D+02  0.428873D+02  0.390751D+00  0.941602D+00 -0.307923D+01
      3  -0.113942D+03 -0.256631D+03  0.514663D+01 -0.254577D+02 -0.558383D+02
               216           217           218           219           220 
      1  -0.590716D+01 -0.682153D+01 -0.393898D+02 -0.711493D+01  0.533951D+01
      2  -0.441379D+00 -0.370454D+02 -0.170052D+02  0.219368D+01  0.960917D+01
      3  -0.222214D+02  0.293868D+03  0.162679D+03 -0.484305D+02 -0.351120D+02
               221           222           223           224           225 
      1   0.588546D+01 -0.730335D+01 -0.133920D+02 -0.203195D+02 -0.107097D+02
      2  -0.825397D+01 -0.363894D+01 -0.199471D+02 -0.159175D+02 -0.757148D+01
      3   0.571497D+02  0.113695D+02 -0.324115D+02  0.102344D+02  0.423695D+02
               226           227           228           229           230 
      1   0.218083D+01 -0.330062D+00 -0.137615D+01  0.519955D+01 -0.262523D+02
      2  -0.432801D+01 -0.180981D+02 -0.338583D+01 -0.331016D+02 -0.244162D+01
      3  -0.422546D+02  0.830622D+02  0.204186D+02  0.316572D+03  0.834623D+02
               231           232           233           234           235 
      1   0.395869D+01 -0.190938D+01 -0.783435D+00 -0.360306D+01 -0.387336D+01
      2   0.871502D+01 -0.319347D+02 -0.567084D+01  0.661262D+01  0.110961D+02
      3  -0.747776D+02  0.104274D+03  0.227425D+02 -0.254195D+02 -0.598257D+02
               236           237           238           239           240 
      1   0.318002D+01  0.178548D+01  0.672469D+00  0.218658D+01 -0.461302D+01
      2   0.178964D+02 -0.255516D+01  0.175055D+01 -0.335874D+01  0.182237D+01
      3  -0.861727D+02  0.738337D+01  0.287550D+02  0.494155D+01 -0.260024D+01
               241           242           243           244           245 
      1  -0.915354D+01 -0.903371D+01 -0.901289D+01 -0.576282D+00 -0.659345D+01
      2  -0.189232D+02  0.324502D+01  0.105407D+02 -0.514378D+01 -0.599435D+01
      3   0.286426D+02  0.289451D+02 -0.658452D+00  0.684683D+02  0.324266D+02
               246           247           248           249           250 
      1  -0.923674D+01  0.148604D+02  0.308397D+01 -0.126967D+01 -0.140331D+02
      2   0.855540D+01 -0.590449D+00 -0.152834D+01 -0.399943D+01  0.639086D+01
      3  -0.805394D+01  0.765817D+01 -0.237415D+02 -0.102470D+02 -0.221696D+00
               251           252           253           254           255 
      1   0.580543D+01  0.823623D+01  0.680817D+01  0.224540D+01 -0.528478D+01
      2   0.900215D+01 -0.505720D+01 -0.228456D+02 -0.285377D+01  0.161223D+01
      3  -0.222047D+02  0.171270D+02  0.136136D+03  0.292673D+02 -0.458041D+02
               256           257           258           259           260 
      1   0.472248D+01 -0.119227D+02 -0.479315D+01 -0.105725D+02  0.784729D+01
      2  -0.339168D+01  0.331194D+01  0.802628D+01 -0.126364D+02 -0.253027D+01
      3   0.278818D+01  0.793575D+01 -0.136795D+02 -0.234117D+02 -0.178671D+02
               261           262           263           264           265 
      1   0.947617D+01 -0.905448D+01  0.228762D+01  0.487454D+01 -0.457681D+01
      2   0.745569D+01  0.989859D+01  0.879900D+01  0.697586D+00  0.468575D+01
      3   0.134932D+02 -0.133261D+03 -0.317619D+02  0.427597D+02 -0.321289D+01
               266           267           268           269           270 
      1  -0.157624D+01 -0.451840D+00  0.227862D+01  0.538002D+01  0.410151D+01
      2  -0.636695D+00 -0.368723D+01 -0.118236D+02 -0.458341D+01 -0.290781D+01
      3   0.187317D+02  0.818055D+01 -0.232011D+01 -0.652195D+01  0.862293D+01
               271           272           273           274           275 
      1   0.219820D+01 -0.237764D+01  0.565250D+01  0.325007D+01 -0.360653D+01
      2   0.123666D+01 -0.118709D+01  0.281183D+01 -0.434841D+00  0.122238D+01
      3  -0.173315D+02  0.171867D+02 -0.235909D+01  0.164787D+02 -0.206195D+02
               276           277           278           279           280 
      1  -0.235360D+01  0.240054D+01  0.623051D+00 -0.289104D+00 -0.519645D+01
      2  -0.109106D+01  0.913404D+00  0.222403D+00  0.218844D+00 -0.129679D+01
      3  -0.543830D+01 -0.891875D+01  0.101482D+01 -0.510667D+01  0.615222D+01
               281           282           283           284           285 
      1  -0.127069D+01 -0.678707D+01 -0.982721D+00 -0.116982D+02 -0.126063D+02
      2   0.277200D+00 -0.312491D+00 -0.109957D+01  0.155339D+01  0.193667D+01
      3  -0.324498D+01  0.659699D+01  0.921965D+00 -0.297194D+01 -0.248233D+01
               286           287           288           289           290 
      1  -0.102389D+01 -0.857750D+01 -0.567539D+01 -0.853054D+01  0.347590D+00
      2  -0.200006D+01  0.420339D+00  0.106967D+01  0.178479D+01  0.941435D+00
      3   0.697753D+01  0.290287D+01 -0.101604D+00  0.128833D+02 -0.231248D+01
               291           292           293           294           295 
      1  -0.565312D+01 -0.904794D-01 -0.187058D+01 -0.166615D+01 -0.122193D+01
      2   0.722669D+01  0.371488D+01 -0.115054D+01  0.276805D+01 -0.188853D+01
      3   0.601780D+01 -0.576398D+01  0.803952D+01 -0.672108D+00  0.506784D+01
               296           297           298           299           300 
      1  -0.153323D+01 -0.201797D+00  0.535119D+00 -0.356503D+01 -0.973358D+00
      2   0.116699D+01  0.217773D+01  0.267362D+01  0.174168D+01  0.345482D+01
      3  -0.401673D-01 -0.166585D+01 -0.611924D+01  0.343258D+01 -0.496265D+01
               301           302           303           304           305 
      1  -0.121216D+01  0.156066D+00 -0.507881D+01  0.703005D+00  0.230141D+01
      2   0.154121D+01  0.124847D+02  0.801731D+01  0.203526D+01  0.225619D+01
      3  -0.191330D+01 -0.270215D+02 -0.121097D+02 -0.598302D+01 -0.890128D+01
               306           307           308           309           310 
      1  -0.341239D+01 -0.339553D+01  0.568175D+00  0.264545D+01  0.344080D+01
      2   0.427788D+01 -0.372398D+01  0.586665D-03  0.436973D+01  0.388243D+01
      3  -0.414027D+01  0.125635D+02 -0.587329D+01  0.491219D+00 -0.969856D+01
               311           312           313           314           315 
      1  -0.464275D+01 -0.344146D+01 -0.177846D+00  0.900072D+00 -0.208214D+00
      2  -0.678132D+01 -0.429332D+01 -0.780150D+00  0.251006D+01 -0.344999D+00
      3   0.219344D+02  0.334542D+01 -0.164688D+01  0.661620D+01 -0.306927D+01
               316           317           318           319           320 
      1   0.141360D+01  0.641264D+00  0.297645D+00  0.980791D+00  0.279341D+01
      2   0.725645D+01  0.293010D+00  0.847394D+01  0.387076D+01  0.407228D+01
      3  -0.157679D+02 -0.307208D+01 -0.438384D+01 -0.753290D+01 -0.119805D+02
               321           322           323           324           325 
      1   0.675285D-01  0.633306D-02  0.179654D+00 -0.757531D+00 -0.171670D+01
      2   0.234410D+01 -0.438294D+00 -0.166653D+01  0.152870D+01  0.248880D+01
      3  -0.372738D+01 -0.668116D+01 -0.325523D+01  0.207446D+01 -0.165902D+02
               326           327           328           329           330 
      1   0.239267D+01  0.389070D+01  0.408163D+01 -0.124192D+01 -0.470583D+01
      2   0.349145D+00  0.322486D+01  0.169418D+01  0.146040D+00 -0.297186D+01
      3  -0.997328D+00  0.186938D+01 -0.245014D+00 -0.383992D+01 -0.197370D+01
               331           332           333           334           335 
      1  -0.324770D+01 -0.748240D+00 -0.108059D+01 -0.111696D+01 -0.114914D+01
      2  -0.173598D+01 -0.199230D-01 -0.126568D+01 -0.268678D+01 -0.249352D+01
      3  -0.144694D+01 -0.695643D+01  0.436622D+01  0.131894D+02  0.124004D+02
               336           337           338           339           340 
      1  -0.118534D+01 -0.131775D+01 -0.796455D+01 -0.845963D+01  0.292023D+01
      2   0.149534D+00 -0.173629D+01 -0.717850D+01 -0.242640D+01  0.826641D+00
      3   0.103800D+01  0.562828D+01  0.260305D+02  0.921376D+01 -0.231173D+01
               341           342           343           344           345 
      1   0.257186D+01 -0.248516D+01 -0.133904D+01 -0.932930D+00 -0.157277D+01
      2  -0.730191D+00 -0.789612D-01  0.913321D+00 -0.393048D-01  0.658653D+00
      3   0.716869D+01 -0.766044D+00  0.122813D+00  0.222723D+01  0.191142D+01
               346           347           348           349           350 
      1  -0.288761D+01 -0.740953D+01 -0.820603D+01 -0.533582D+00 -0.122352D+01
      2   0.109774D-01  0.372422D+01  0.275499D+01 -0.584657D+00  0.477536D+00
      3   0.465310D+01 -0.143034D+01 -0.187921D-01  0.279331D+01 -0.333426D+01
               351           352           353           354           355 
      1  -0.248939D+01 -0.241952D+00 -0.371527D+00 -0.298505D+01 -0.257556D+01
      2   0.510439D+00 -0.131628D+01 -0.439160D+00  0.463451D+01  0.262599D+01
      3  -0.128489D+00  0.292632D+02  0.770273D+01 -0.185200D+01  0.554466D+01
               356           357           358           359           360 
      1  -0.125234D+01 -0.110863D+01  0.107140D+01  0.342856D+00 -0.719498D+00
      2   0.101833D+01  0.118476D+01 -0.158308D+01 -0.901112D+00  0.905499D+00
      3   0.274702D+01  0.234674D+01 -0.468397D+01  0.945023D+00 -0.285394D+00
               361           362           363           364           365 
      1   0.372474D+01 -0.526765D+01 -0.145897D+01 -0.112270D+01  0.100032D+02
      2   0.526939D+01  0.111218D+01  0.148742D+02 -0.328310D+01 -0.630532D+01
      3   0.951302D+01 -0.331702D+02  0.117505D+01  0.749500D+01  0.336437D+02
               366           367           368           369           370 
      1  -0.549306D+01 -0.890776D+01  0.134033D+02  0.897008D+01  0.646677D-01
      2  -0.482627D+01 -0.100392D+01 -0.555120D+01 -0.116260D+02 -0.200720D+01
      3   0.280038D+01  0.892720D+01  0.151395D+02  0.197222D+02  0.985521D+00
               371           372           373           374           375 
      1   0.311016D+01 -0.411199D+00  0.133975D+00  0.588070D+01 -0.725311D+00
      2  -0.215482D+01 -0.821835D-01 -0.273373D+01 -0.430753D+01  0.539811D-01
      3   0.252987D+00  0.142884D+01  0.698806D+01  0.130612D+02 -0.588118D+00
               376           377           378 
      1   0.164982D+01  0.590752D+01 -0.797668D+00
      2  -0.177179D+01 -0.140091D+01 -0.478595D+00
      3  -0.100882D+01  0.381427D+01  0.236534D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.336950D+01 -0.422556D+01  0.312217D+01  0.142299D+01  0.134365D+00
      2  -0.201776D+01  0.209500D+01  0.296719D+01  0.195859D+01 -0.145712D+01
      3  -0.135175D+01  0.213056D+01 -0.608936D+01 -0.338158D+01  0.132275D+01
      4   0.373433D+00 -0.954314D+00  0.686093D+00 -0.647425D-01  0.515302D+00
      5  -0.806373D+01  0.805112D+01  0.272484D+01  0.769198D+01 -0.944766D+01
      6   0.396541D+01 -0.579196D+01 -0.431728D+00 -0.300654D+01  0.735066D+01
                 6             7             8             9            10 
      1  -0.376874D+01  0.220774D+01 -0.500476D+01  0.840539D+00 -0.131548D+02
      2  -0.477645D+01  0.153225D+01 -0.137187D+01 -0.183722D+01  0.159002D+02
      3   0.854520D+01 -0.373998D+01  0.637663D+01  0.996684D+00 -0.274540D+01
      4   0.427557D+00  0.202661D+01 -0.200833D+00  0.330791D+00  0.226580D+02
      5  -0.421883D+01  0.121864D+01 -0.106917D+01 -0.431954D+01 -0.279780D+02
      6   0.303554D+01 -0.380856D+00  0.228643D+01  0.411593D+01  0.130155D+02
                11            12            13            14            15 
      1   0.139699D+02  0.123303D+02 -0.143326D+02  0.820322D+01 -0.919179D+01
      2   0.137465D+01  0.364249D+02  0.189200D+02 -0.474913D+01  0.158960D+02
      3  -0.153445D+02 -0.487552D+02 -0.458740D+01 -0.345409D+01 -0.670419D+01
      4   0.162888D+01  0.761173D+01  0.851805D+01  0.173799D+02  0.880554D+01
      5   0.745758D+01  0.445902D+01 -0.146708D+02  0.101964D+01 -0.536659D+00
      6  -0.605268D+01  0.164311D+02  0.137256D+02  0.577170D+01  0.135706D+02
                16            17            18            19            20 
      1  -0.121737D+02  0.881429D+01 -0.385564D+01  0.206064D+02 -0.201439D+02
      2   0.353055D+02 -0.892429D+01  0.303193D+02 -0.164446D+02  0.102371D+02
      3  -0.231318D+02  0.110003D+00 -0.264637D+02 -0.416186D+01  0.990680D+01
      4   0.154325D+02  0.632639D+00  0.271471D+02 -0.276689D+02  0.682652D+01
      5  -0.147912D+02  0.177288D+02 -0.254245D+02  0.252310D+02 -0.220158D+02
      6   0.259244D+02 -0.123583D+02  0.226766D+02 -0.215958D+02  0.161845D+02
                21            22            23            24            25 
      1   0.181328D+02 -0.105976D+01  0.211544D+02  0.102838D+02  0.499430D+01
      2   0.367747D+01 -0.178222D+02 -0.135715D+02 -0.949248D+01 -0.211814D+02
      3  -0.218102D+02  0.188819D+02 -0.758285D+01 -0.791353D+00  0.161871D+02
      4  -0.186089D+02  0.139147D+02 -0.318904D+01  0.108136D+01 -0.177043D+02
      5   0.277843D+00  0.130589D+02  0.126404D+02  0.196592D+02  0.241429D+02
      6   0.132734D+00  0.763244D+01 -0.107767D+02 -0.592450D+01 -0.218068D+02
                26            27            28            29            30 
      1  -0.590880D+00 -0.257576D+02 -0.157535D+01  0.276702D+00 -0.330266D+01
      2   0.126340D+02 -0.480237D+02 -0.782184D+01 -0.130651D+01 -0.102281D+02
      3  -0.120431D+02  0.737813D+02  0.939719D+01  0.102980D+01  0.135308D+02
      4  -0.160165D+01 -0.180695D+02  0.396031D+00  0.255638D+01  0.631955D+00
      5  -0.176035D+02  0.932572D+01  0.644039D+01  0.351895D+01  0.123788D+02
      6   0.465268D+01 -0.455089D+02  0.101706D+01  0.171120D+01 -0.188313D+01
                31            32            33            34            35 
      1  -0.387024D+01 -0.126216D+02 -0.230189D+02 -0.469304D+01 -0.109903D+02
      2  -0.607306D+01 -0.119465D+02 -0.269416D+02 -0.108571D+02 -0.149291D+02
      3   0.994330D+01  0.245681D+02  0.499605D+02  0.155501D+02  0.259194D+02
      4   0.421153D+01  0.688700D+01  0.889757D+01  0.403041D+01  0.574170D+01
      5   0.510400D+01  0.595700D+01  0.908184D+01  0.110825D+02  0.889506D+01
      6   0.635012D+01  0.158144D+02  0.199019D+02  0.682623D+01  0.124753D+02
                36            37            38            39            40 
      1  -0.237841D+02  0.345666D+01  0.132545D+02 -0.867278D+01  0.348449D+02
      2  -0.324857D+02 -0.911035D+01 -0.219231D+02 -0.113633D+02 -0.194705D+02
      3   0.562697D+02  0.565369D+01  0.866860D+01  0.200360D+02 -0.153744D+02
      4   0.972556D+01  0.133368D+01  0.834751D+01  0.510954D+01 -0.361762D+02
      5   0.181386D+02 -0.239090D+01  0.138794D+02  0.238086D+01  0.196533D+02
      6   0.213934D+02  0.859196D+01 -0.128108D+01  0.590681D+01 -0.240981D+02
                41            42            43            44            45 
      1  -0.189155D+02  0.141459D+02 -0.193224D+02 -0.256238D+00 -0.457734D+02
      2   0.837428D+01  0.168401D+02  0.397189D-01  0.610966D+01 -0.165850D+02
      3   0.105412D+02 -0.309861D+02  0.192827D+02 -0.585342D+01  0.623584D+02
      4   0.118948D+02 -0.181726D+02 -0.344952D+02  0.209034D+02 -0.244975D+02
      5  -0.227422D+02 -0.565983D+01  0.917552D+01 -0.211763D+02  0.144728D+02
      6   0.204305D+02  0.468089D+01 -0.391189D+02  0.391491D+02 -0.508889D+02
                46            47            48            49            50 
      1   0.245708D+02 -0.130376D+01  0.933665D+01 -0.443883D+01  0.948992D+00
      2  -0.453586D+02  0.624262D+01 -0.372488D+02 -0.182335D+01 -0.238779D+01
      3   0.207878D+02 -0.493885D+01  0.279122D+02  0.626218D+01  0.143880D+01
      4  -0.254752D+02  0.920095D+01 -0.195646D+02  0.919672D+01 -0.330884D+01
      5   0.652213D+02 -0.112329D+02  0.547007D+02 -0.231715D+01  0.656362D+01
      6  -0.256519D+02  0.996097D+01 -0.246494D+02  0.663048D+01 -0.321861D+01
                51            52            53            54            55 
      1  -0.442093D+01  0.136945D+02 -0.284951D+00  0.694581D+01  0.172974D+02
      2  -0.662582D+01 -0.366399D+02  0.152681D+01 -0.350335D+02 -0.465495D+01
      3   0.110468D+02  0.229454D+02 -0.124186D+01  0.280877D+02 -0.126424D+02
      4   0.572348D+01 -0.124047D+02  0.402127D+01 -0.109415D+02  0.146423D+02
      5   0.214037D+01  0.480330D+02 -0.432540D+01  0.453395D+02 -0.195066D+01
      6   0.357671D+01 -0.142895D+02  0.504541D+01 -0.138202D+02  0.158628D+02
                56            57            58            59            60 
      1   0.375808D+01  0.156783D+02 -0.681219D+00 -0.211415D+02  0.218957D+02
      2  -0.484860D+01 -0.901297D+01  0.277207D+02  0.300127D+01  0.416575D+01
      3   0.109052D+01 -0.666535D+01 -0.270395D+02  0.181403D+02 -0.260615D+02
      4  -0.145353D+02  0.182852D+02  0.103662D+02 -0.480936D+01  0.296574D+02
      5   0.145905D+02  0.591823D+01 -0.254441D+02  0.227378D+02 -0.226281D+02
      6  -0.230270D+02  0.101233D+02  0.303385D+02 -0.385485D+02  0.431838D+02
                61            62            63            64            65 
      1  -0.139801D+02  0.300880D+02  0.115776D+02  0.121484D+02 -0.367492D+01
      2   0.293883D+02 -0.312374D+02  0.164984D+02  0.118409D+02 -0.172077D+02
      3  -0.154082D+02  0.114947D+01 -0.280760D+02 -0.239893D+02  0.208826D+02
      4   0.411888D+02  0.308705D+01  0.159305D+02 -0.459403D+02  0.421392D+02
      5  -0.220353D+02  0.159030D+02 -0.117667D+02  0.148308D+02 -0.129908D+02
      6   0.280399D+02  0.608632D-01  0.156733D+02 -0.198396D+02  0.216323D+02
                66            67            68            69            70 
      1  -0.111609D+00 -0.614937D+01 -0.160450D+01  0.138387D+01  0.232972D+01
      2   0.258294D+01 -0.207398D+02  0.315011D+02 -0.379765D+01 -0.388869D+01
      3  -0.247133D+01  0.268892D+02 -0.298966D+02  0.241378D+01  0.155897D+01
      4  -0.957791D+01  0.452726D+02 -0.478234D+02  0.559403D+01 -0.712850D+00
      5   0.709543D+01 -0.972615D+01  0.937305D+01 -0.435142D+01  0.609269D+01
      6  -0.898520D+01  0.178979D+02 -0.221581D+02  0.689872D+01 -0.491501D+01
                71            72            73            74            75 
      1  -0.211136D+01 -0.303656D+00 -0.260734D+02 -0.720986D+01 -0.248677D+02
      2   0.738491D+01  0.236935D+01 -0.230114D+02  0.112233D+02 -0.260592D+02
      3  -0.527356D+01 -0.206569D+01  0.490848D+02 -0.401344D+01  0.509268D+02
      4  -0.322702D+01 -0.538929D+01 -0.468491D+02  0.116075D+02 -0.354116D+02
      5  -0.416828D+01  0.188907D+01  0.213533D+02 -0.144568D+02  0.181432D+02
      6   0.306802D+01 -0.241567D+01 -0.393582D+02  0.428413D+01 -0.334077D+02
                76            77            78            79            80 
      1   0.392585D+02 -0.332417D+02  0.229155D+02 -0.392242D+00 -0.105561D+02
      2   0.444667D+02  0.489817D+02  0.853988D+02  0.121635D+02  0.213776D+02
      3  -0.837252D+02 -0.157400D+02 -0.108314D+03 -0.117713D+02 -0.108215D+02
      4   0.460826D+02 -0.268526D+02  0.436703D+02 -0.207934D+01 -0.861844D+01
      5  -0.435043D+02 -0.551377D+01 -0.420804D+02 -0.517548D+01 -0.891123D+01
      6   0.565914D+02 -0.270241D+01  0.669937D+02  0.405451D+01  0.153455D+02
                81            82            83            84            85 
      1  -0.630623D+01 -0.548457D+02  0.914684D+02 -0.981280D+01 -0.165914D+02
      2   0.389987D+02 -0.151967D+01 -0.881692D+02 -0.356285D+02 -0.142348D+02
      3  -0.326925D+02  0.563654D+02 -0.329923D+01  0.454413D+02  0.308262D+02
      4   0.506200D+00 -0.467530D+02  0.227368D+02 -0.219085D+02 -0.242344D+02
      5  -0.195676D+02  0.123945D+02  0.101306D+02  0.276637D+02  0.112744D+02
      6   0.118427D+02 -0.216748D+02 -0.120958D+02 -0.490820D+02 -0.103223D+02
                86            87            88            89            90 
      1  -0.834407D+01  0.436162D+01 -0.474810D+02  0.861830D+02 -0.305541D+02
      2   0.515876D+01 -0.481843D+02  0.818364D+00 -0.106112D+03 -0.241501D+02
      3   0.318531D+01  0.438226D+02  0.466626D+02  0.199294D+02  0.547042D+02
      4   0.292834D+02 -0.661278D+01 -0.164018D+02  0.144930D+02 -0.293305D+02
      5   0.488076D+01  0.192411D+02  0.289880D+02  0.523806D+01  0.237052D+02
      6  -0.211217D+02 -0.120283D+02 -0.464645D+02  0.309321D+02 -0.585914D+02
                91            92            93            94            95 
      1   0.662138D+02 -0.282650D+02  0.393874D+02 -0.778415D+01  0.344175D+01
      2   0.213849D+02  0.289681D+02  0.513782D+02 -0.495446D+02 -0.124014D+02
      3  -0.875987D+02 -0.703073D+00 -0.907655D+02  0.573287D+02  0.895963D+01
      4   0.617157D+02 -0.286069D+02  0.471473D+02 -0.338446D+02  0.223896D+01
      5  -0.370228D+02 -0.442206D+01 -0.304243D+02  0.280550D+02 -0.628982D+01
      6   0.555774D+02 -0.497248D+01  0.614655D+02 -0.473981D+02  0.143096D+01
                96            97            98            99           100 
      1  -0.750821D+01  0.300869D+02 -0.199971D+02  0.233934D+02 -0.375208D+02
      2  -0.636214D+02 -0.173761D+02  0.118361D+02 -0.740875D+01 -0.121528D+02
      3   0.711296D+02 -0.127108D+02  0.816098D+01 -0.159846D+02  0.496736D+02
      4  -0.424159D+02  0.971297D+01 -0.283805D+02  0.614125D+01 -0.335015D+02
      5   0.348112D+02 -0.735352D+00 -0.352881D+01 -0.435621D+01  0.348231D+01
      6  -0.494057D+02  0.439408D+01 -0.451730D+01  0.535848D+01 -0.267152D+02
               101           102           103           104           105 
      1  -0.166201D+02 -0.235643D+02 -0.118315D+03  0.161491D+03 -0.743074D+02
      2   0.325860D+01 -0.217003D+02  0.542551D+02 -0.125126D+03  0.310203D+02
      3   0.133615D+02  0.452646D+02  0.640602D+02 -0.363644D+02  0.432871D+02
      4   0.393880D+02 -0.242633D+02 -0.585693D+02 -0.187003D+02 -0.444006D+02
      5   0.178039D+02  0.146707D+02  0.528978D+00 -0.368652D+02 -0.227734D+01
      6   0.144259D+01 -0.257240D+02 -0.566478D+02  0.188896D+02 -0.311311D+02
               106           107           108           109           110 
      1  -0.883909D+02  0.708118D+02 -0.492752D+02 -0.123976D+02  0.581866D+02
      2   0.275047D+02 -0.513373D+02 -0.467452D+01  0.519666D+02 -0.684151D+02
      3   0.608861D+02 -0.194745D+02  0.539498D+02 -0.395690D+02  0.102285D+02
      4  -0.419036D+02  0.116897D+02 -0.327631D+02  0.610410D+02  0.346080D+02
      5   0.609020D+01 -0.777041D+01 -0.878126D+00  0.126232D+02  0.153821D+02
      6  -0.403884D+02  0.713541D+01 -0.368321D+02  0.393899D+02 -0.113956D+02
               111           112           113           114           115 
      1   0.311037D+02  0.148551D+03 -0.191172D+03  0.860139D+02  0.637352D+02
      2   0.135149D+01 -0.712022D+02  0.156568D+03 -0.227294D+02 -0.124574D+02
      3  -0.324552D+02 -0.773488D+02  0.346037D+02 -0.632845D+02 -0.512777D+02
      4   0.450990D+02  0.609169D+02 -0.161797D+02  0.380003D+02  0.449079D+02
      5   0.808285D+01 -0.714865D+01  0.303452D+02 -0.258073D+01  0.641163D+00
      6   0.231858D+02  0.554474D+02 -0.235335D+02  0.352790D+02  0.427775D+02
               116           117           118           119           120 
      1  -0.509298D+02  0.369112D+02  0.102206D+03 -0.155533D+03  0.482566D+02
      2   0.200547D+02 -0.194294D+01 -0.470496D+02  0.165918D+03 -0.702761D+00
      3   0.308751D+02 -0.349683D+02 -0.551561D+02 -0.103858D+02 -0.475538D+02
      4  -0.116548D+02  0.422747D+02  0.540188D+02 -0.525931D+02  0.167891D+02
      5   0.274106D+02 -0.102368D+01 -0.210712D+02 -0.622156D+01 -0.201346D+02
      6   0.146428D+01  0.365488D+02  0.266480D+02 -0.345399D+02  0.264692D+02
               121           122           123           124           125 
      1  -0.573702D+02  0.792232D+02 -0.189351D+02  0.506473D+02 -0.460332D+02
      2   0.512814D+02 -0.534768D+02  0.833761D+01 -0.365749D+02  0.405872D+02
      3   0.608879D+01 -0.257464D+02  0.105975D+02 -0.140724D+02  0.544607D+01
      4   0.107302D+02  0.313940D+02 -0.181189D+01  0.171897D+02 -0.414119D+02
      5   0.607194D+01 -0.120591D+02  0.660029D+01 -0.741241D+00 -0.535030D+01
      6  -0.118929D+02 -0.820465D+01 -0.151748D+02  0.244808D+02 -0.624707D+01
               126           127           128           129           130 
      1   0.106696D+02 -0.115629D+03  0.136652D+03 -0.395019D+02 -0.164897D+02
      2   0.370235D+01  0.732015D+02 -0.549034D+02  0.291780D+02  0.134087D+02
      3  -0.143719D+02  0.424273D+02 -0.817486D+02  0.103239D+02  0.308100D+01
      4   0.101666D+02 -0.774567D+01 -0.142238D+03 -0.596962D+01  0.246407D+01
      5  -0.190386D+02 -0.114585D+02 -0.981846D+02 -0.195361D+01 -0.115538D+02
      6   0.539771D+02 -0.180092D+02  0.275134D+01 -0.728495D+01  0.210591D+02
               131           132           133           134           135 
      1  -0.579863D+02  0.128359D+02 -0.310358D+02  0.206032D+02 -0.131166D+02
      2   0.655827D+02 -0.208727D+02  0.260101D+02  0.758585D+01  0.472801D+01
      3  -0.759634D+01  0.803677D+01  0.502569D+01 -0.281891D+02  0.838863D+01
      4  -0.493553D+02  0.134733D+02  0.670110D+01 -0.567953D+02  0.806478D+00
      5  -0.364677D+02  0.606019D+01 -0.132362D+02 -0.409107D+02 -0.811776D+01
      6  -0.950291D+01 -0.289240D+01  0.480787D-01  0.456299D+00  0.695520D+00
               136           137           138           139           140 
      1   0.138926D+03 -0.143492D+03  0.402975D+02 -0.379851D+02  0.625328D+02
      2  -0.784021D+02  0.581903D+02 -0.167209D+02  0.297144D+02 -0.902268D+02
      3  -0.605238D+02  0.853021D+02 -0.235766D+02  0.827070D+01  0.276940D+02
      4  -0.105840D+02  0.133446D+03 -0.685174D+01  0.582715D+02  0.752506D+02
      5   0.899330D+01  0.101879D+03 -0.629814D+01  0.178687D+02  0.519653D+02
      6   0.879128D+01  0.216834D+01  0.852034D+01  0.219405D+02 -0.148662D+01
               141           142           143           144           145 
      1  -0.217175D+01  0.482693D+01 -0.269275D+02  0.216012D+02  0.359820D+02
      2   0.403297D+01 -0.592976D+01 -0.460218D+01 -0.245516D+02  0.387197D+01
      3  -0.186123D+01  0.110283D+01  0.315297D+02  0.295044D+01 -0.398539D+02
      4   0.227986D+02  0.830539D+01  0.604208D+02  0.138130D+02  0.580893D+02
      5   0.820739D+01  0.326479D+02  0.527988D+02  0.131289D+02 -0.132941D+02
      6   0.722209D+01  0.180874D+02  0.114908D+01  0.688587D-01  0.174325D+02
               146           147           148           149           150 
      1  -0.282066D+02  0.466185D+01 -0.866039D+01  0.248850D+02 -0.331922D+02
      2   0.143447D+02 -0.251747D+01 -0.126956D+02  0.416097D+02  0.274006D+02
      3   0.138619D+02 -0.214438D+01  0.213560D+02 -0.664947D+02  0.579158D+01
      4   0.545919D+02  0.246477D+02 -0.657911D+02 -0.125272D+03 -0.424601D+02
      5   0.162941D+02  0.141713D+02 -0.360242D+02 -0.861459D+02 -0.284574D+02
      6   0.104819D+02  0.215642D+02 -0.477056D+02 -0.638372D+01 -0.287549D+02
               151           152           153           154           155 
      1  -0.236988D+02 -0.150959D+02  0.531754D+01 -0.501554D+02  0.152954D+02
      2  -0.131850D+02  0.238829D+02 -0.224255D+02 -0.900273D+01  0.475810D+02
      3   0.368838D+02 -0.878697D+01  0.171080D+02  0.591582D+02 -0.628764D+02
      4  -0.409755D+02 -0.271127D+02  0.494052D+01 -0.821078D+02 -0.436875D+02
      5   0.243224D+02 -0.216401D+02  0.256604D+02 -0.202677D+02 -0.556588D+02
      6   0.786438D+01  0.349294D+01  0.883859D+01 -0.544050D+02 -0.134492D+01
               156           157           158           159           160 
      1  -0.440819D+02  0.575475D+02 -0.113043D+02  0.373106D+02 -0.257579D+01
      2   0.195894D+02 -0.221326D+02 -0.252708D+00 -0.322653D+02 -0.229687D+02
      3   0.244925D+02 -0.354149D+02  0.115570D+02 -0.504537D+01  0.255444D+02
      4  -0.620108D+02  0.722511D+02  0.780729D+02  0.141209D+02 -0.309963D+02
      5  -0.274948D+02  0.184005D+02  0.267381D+02  0.177607D+02  0.684704D+01
      6  -0.402051D+02  0.173657D+02 -0.133691D+02  0.118285D+02 -0.155695D+02
               161           162           163           164           165 
      1  -0.136064D+02 -0.305139D+02 -0.942370D+02 -0.852294D+02 -0.258191D+01
      2  -0.135885D+02 -0.639847D+01  0.634589D+02  0.985418D+02  0.426114D+01
      3   0.271949D+02  0.369123D+02  0.307780D+02 -0.133124D+02 -0.167923D+01
      4  -0.280985D+02 -0.174732D+01  0.621370D+02 -0.131077D+02 -0.145466D+02
      5   0.151274D+02  0.147981D+02 -0.557480D+02 -0.629919D+02 -0.130306D+00
      6   0.241381D+02  0.456577D+01 -0.894809D+01  0.280665D+02  0.168153D+01
               166           167           168           169           170 
      1   0.806436D+02  0.490698D+02  0.103752D+01  0.251578D+02  0.117361D+02
      2  -0.607349D+02 -0.986215D+02  0.420889D+01 -0.201344D+02 -0.216139D+02
      3  -0.199087D+02  0.495516D+02 -0.524641D+01 -0.502336D+01  0.987785D+01
      4  -0.177843D+02  0.903538D+02 -0.972438D+01 -0.514926D+00  0.297949D+02
      5   0.351478D+02  0.798981D+02 -0.589219D+01  0.584738D+01  0.293326D+02
      6  -0.183855D+02 -0.114750D+02 -0.215641D+01 -0.520668D+00 -0.283798D+01
               171           172           173           174           175 
      1  -0.698382D+01  0.137064D+03  0.271872D+02 -0.531566D+01 -0.514847D+02
      2  -0.292415D+01 -0.863558D+02 -0.355640D+02  0.100400D+02  0.442976D+02
      3   0.990797D+01 -0.507077D+02  0.837677D+01 -0.472433D+01  0.718710D+01
      4   0.238476D+01 -0.833749D+02 -0.114683D+02 -0.551478D+01  0.616687D+00
      5   0.252418D+01  0.492828D+02  0.481569D+02 -0.934840D+01 -0.566147D+02
      6  -0.206689D+01 -0.162311D+02 -0.844424D+01 -0.245669D+01  0.245817D+01
               176           177           178           179           180 
      1  -0.105090D+03 -0.576541D+01  0.175222D+01 -0.238064D+02 -0.126179D+01
      2   0.168611D+03  0.117972D+02  0.843392D+01  0.426137D+02  0.193175D+01
      3  -0.635211D+02 -0.603182D+01 -0.101861D+02 -0.188073D+02 -0.669958D+00
      4  -0.103455D+03 -0.654590D+01 -0.836279D+01 -0.236223D+02 -0.196933D+02
      5  -0.112579D+03  0.130195D+01  0.240247D+01 -0.428689D+02 -0.103556D+02
      6   0.454492D+02  0.218225D+01 -0.144363D+02  0.271541D+02 -0.386087D+00
               181           182           183           184           185 
      1  -0.792897D+02  0.607667D+01  0.432695D+01 -0.154795D+03  0.347073D+02
      2   0.434576D+02 -0.139240D+02 -0.671640D+01  0.109746D+03 -0.239298D+02
      3   0.358321D+02  0.784735D+01  0.238945D+01  0.450494D+02 -0.107774D+02
      4   0.559483D+02  0.222574D+02  0.133297D+02  0.507784D+02 -0.307372D+02
      5  -0.301391D+02 -0.115614D+02  0.120802D+02 -0.369483D+02 -0.213976D+02
      6   0.170981D+02 -0.511940D+01 -0.231758D+01  0.269828D+02 -0.116952D+02
               186           187           188           189           190 
      1  -0.147559D+02 -0.772684D+02  0.267015D+02  0.184832D+02  0.743433D+00
      2   0.592888D+01  0.541185D+02 -0.258901D+02 -0.154917D+02 -0.423835D+01
      3   0.882700D+01  0.231499D+02 -0.811454D+00 -0.299141D+01  0.349492D+01
      4   0.330100D+02  0.159653D+02  0.129536D+02 -0.185344D+02 -0.338991D+01
      5  -0.160524D+02  0.311558D+02 -0.529805D+02 -0.157644D+02 -0.125622D+02
      6   0.130866D+02 -0.446682D+01  0.180553D+02 -0.214214D+01  0.109739D+01
               191           192           193           194           195 
      1   0.487275D+02 -0.243016D+02  0.170828D+03 -0.106293D+03 -0.161039D+01
      2  -0.406301D+02  0.125619D+02 -0.106752D+03  0.748206D+02  0.110402D+02
      3  -0.809741D+01  0.117397D+02 -0.640754D+02  0.314728D+02 -0.942979D+01
      4   0.169665D+02  0.485170D+01 -0.824223D+02  0.593979D+02 -0.281539D+02
      5  -0.419926D+01  0.142981D+02 -0.154449D+02  0.447049D+02  0.195925D+01
      6  -0.143384D+01  0.114889D+01 -0.183100D+02  0.732992D+01 -0.387736D+01
               196           197           198           199           200 
      1   0.127693D+02 -0.334203D+02  0.236074D+02  0.403776D+02  0.509484D+02
      2  -0.151410D+02  0.205380D+02 -0.246275D+02 -0.417945D+02 -0.506059D+02
      3   0.237167D+01  0.128823D+02  0.102015D+01  0.141696D+01 -0.342464D+00
      4  -0.468433D+02  0.921575D+01 -0.110395D+02 -0.322589D+02 -0.150855D+02
      5   0.515954D+02  0.239562D+02  0.244819D+02  0.257726D+02  0.345157D+02
      6  -0.170384D+02  0.214707D+01 -0.128601D+02  0.755898D+01 -0.181871D+02
               201           202           203           204           205 
      1  -0.432744D+01  0.883679D-01  0.283803D+02  0.904079D+01  0.306963D+01
      2  -0.114113D+01  0.232843D+02 -0.397122D+02 -0.177760D+02  0.984006D+01
      3   0.546857D+01 -0.233727D+02  0.113319D+02  0.873524D+01 -0.129097D+02
      4   0.118380D+02 -0.134808D+03 -0.301094D+02  0.307966D+02 -0.546313D+02
      5   0.386771D+01  0.481103D+02  0.109692D+02 -0.103795D+02  0.221956D+02
      6  -0.607858D+01  0.259888D+02 -0.822285D+01 -0.445032D+01  0.103322D+02
               206           207           208           209           210 
      1   0.746587D+01  0.341962D+01  0.906040D+01  0.123484D+03  0.179097D+02
      2  -0.667854D+01 -0.125469D+02 -0.125372D+02 -0.155422D+03 -0.115903D+02
      3  -0.787333D+00  0.912724D+01  0.347675D+01  0.319380D+02 -0.631941D+01
      4  -0.609834D+01  0.898650D+01 -0.520523D+02  0.360312D+02  0.217630D+02
      5   0.679850D+00  0.466769D+00  0.481642D+02  0.576073D+02  0.118748D+02
      6  -0.450352D+00 -0.617556D+01  0.484943D+01 -0.392282D+02 -0.287773D+02
               211           212           213           214           215 
      1   0.139790D+02  0.811403D+02  0.518334D+01 -0.632738D+01  0.239137D+02
      2  -0.279364D+02 -0.123164D+03 -0.858637D+01  0.203028D+02 -0.452177D+02
      3   0.139574D+02  0.420232D+02  0.340303D+01 -0.139755D+02  0.213040D+02
      4   0.420736D+01  0.559191D+02  0.230722D+02 -0.357205D+01  0.265961D+02
      5   0.274485D+02  0.822871D+02  0.242165D+01  0.367117D+02  0.129195D+02
      6   0.144046D+02 -0.456797D+02 -0.552933D+01 -0.383378D+02  0.554948D+01
               216           217           218           219           220 
      1  -0.435794D+01  0.179459D+02 -0.911918D+02 -0.147463D+02 -0.223547D+02
      2  -0.240309D+01 -0.302724D+02  0.121176D+03  0.152025D+02  0.253797D+02
      3   0.676103D+01  0.123264D+02 -0.299838D+02 -0.456165D+00 -0.302495D+01
      4  -0.268136D+02  0.121450D+03 -0.477589D+02 -0.436255D+02 -0.102548D+02
      5  -0.101194D+02 -0.575009D+02 -0.635079D+02 -0.625201D+01  0.140912D+02
      6   0.103344D+02 -0.231489D+02  0.345594D+02  0.267451D+02  0.304874D+01
               221           222           223           224           225 
      1  -0.215492D+02  0.161987D+02 -0.121676D+02  0.769034D+01 -0.265362D+02
      2   0.351148D+02 -0.252868D+02  0.569062D+01 -0.348533D+02  0.150481D+02
      3  -0.135656D+02  0.908810D+01  0.647694D+01  0.271630D+02  0.114881D+02
      4  -0.314936D+02  0.553470D+01 -0.102924D+02 -0.128882D+01  0.223908D+01
      5  -0.759592D+01 -0.593440D+01  0.562269D+01 -0.165556D+02 -0.123285D+02
      6  -0.210985D+02  0.452587D+01  0.205388D+02  0.471593D+02  0.172241D+02
               226           227           228           229           230 
      1  -0.686771D+02  0.927409D+01  0.124865D+02  0.117087D+02 -0.429143D+02
      2   0.650062D+02 -0.993616D+01 -0.140015D+02 -0.346954D+02  0.606638D+02
      3   0.367084D+01  0.662073D+00  0.151495D+01  0.229867D+02 -0.177495D+02
      4  -0.238300D+02  0.361687D+02  0.244248D+02  0.139711D+03  0.288064D+02
      5   0.172852D+02  0.105860D+02 -0.723363D+01 -0.597101D+02 -0.196522D+02
      6   0.152479D+02 -0.474769D+01 -0.499414D+01 -0.298391D+02  0.117167D+02
               231           232           233           234           235 
      1  -0.568588D+01  0.102009D+02 -0.465399D+01 -0.192312D+02  0.516645D+02
      2   0.246697D+02 -0.172779D+02  0.752692D+01  0.180977D+02 -0.440886D+02
      3  -0.189838D+02  0.707694D+01 -0.287293D+01  0.113347D+01 -0.757596D+01
      4  -0.333272D+02  0.492702D+02  0.917155D+01 -0.135670D+02 -0.347472D+02
      5   0.109908D+02 -0.244153D+02 -0.486843D+01  0.881177D+01 -0.384451D+01
      6   0.707507D+01 -0.123790D+02  0.170940D+02  0.824409D+01 -0.954339D+00
               236           237           238           239           240 
      1  -0.108524D+01 -0.152876D+02 -0.466308D+01  0.191141D+01  0.158912D+02
      2  -0.146739D+02  0.775050D+01  0.849540D+01  0.544172D+01 -0.211864D+02
      3   0.157591D+02  0.753709D+01 -0.383232D+01 -0.735313D+01  0.529517D+01
      4  -0.664431D+02 -0.132734D+02  0.343551D+02  0.197983D+02 -0.981086D+01
      5  -0.944921D+01 -0.321338D+01  0.367555D+01 -0.922589D+01  0.535120D+00
      6   0.107797D+02  0.158842D+00 -0.836727D+01 -0.250844D+02  0.635401D+01
               241           242           243           244           245 
      1  -0.949960D+01  0.193699D+02 -0.942965D+01 -0.569398D+01 -0.295986D+02
      2   0.675475D+01 -0.253582D+02  0.854842D+01 -0.281963D+01  0.398740D+02
      3   0.274485D+01  0.598835D+01  0.881235D+00  0.851361D+01 -0.102755D+02
      4   0.274369D+02  0.118276D+02  0.151096D+02  0.343691D+02  0.431363D+02
      5   0.105540D+02  0.121253D+02  0.107327D+02 -0.154877D+02  0.627412D+01
      6   0.864170D+01  0.214958D+02  0.132763D+02 -0.897399D+00  0.573042D+00
               246           247           248           249           250 
      1  -0.554174D+01  0.532109D+02 -0.179027D+02 -0.224616D+02  0.407655D+02
      2   0.966822D+01 -0.571465D+02  0.208908D+01  0.179622D+02 -0.394066D+02
      3  -0.412647D+01  0.393556D+01  0.158136D+02  0.449944D+01 -0.135892D+01
      4   0.472249D+01 -0.187039D+02 -0.487628D+02 -0.267919D+02 -0.203515D+02
      5   0.221068D+02 -0.446395D+02 -0.145431D+02  0.791583D+01  0.150092D+02
      6   0.138619D+02 -0.238487D+02 -0.321484D+01  0.509599D+01  0.179677D+02
               251           252           253           254           255 
      1   0.308438D+01 -0.790673D+01  0.729514D+01  0.216969D+02 -0.400680D+01
      2  -0.147335D+02  0.230880D+01 -0.143891D+02  0.423332D+01  0.536859D+01
      3   0.116491D+02  0.559793D+01  0.709396D+01 -0.259302D+02 -0.136179D+01
      4  -0.436496D+02  0.127293D+02  0.792899D+02  0.236902D+02 -0.875401D+01
      5   0.462266D+01 -0.782737D+01 -0.172564D+02  0.372657D+01 -0.330349D+01
      6   0.185218D+02 -0.105796D+02 -0.437313D+01  0.747751D+01  0.479590D+01
               256           257           258           259           260 
      1  -0.298858D+02  0.808563D+01  0.959075D+01 -0.677420D+01 -0.337456D+01
      2   0.362582D+02  0.201161D+01  0.171049D+01  0.142972D+02  0.549402D+01
      3  -0.637243D+01 -0.100972D+02 -0.113012D+02 -0.752299D+01 -0.211946D+01
      4  -0.470622D+01  0.481057D+02  0.165923D+02 -0.211829D+02  0.119616D+02
      5   0.688124D+01  0.145809D+02  0.104060D+02  0.156324D+02  0.982257D+01
      6   0.141124D+02 -0.241737D+01 -0.332939D+01  0.188198D+02  0.268543D+01
               261           262           263           264           265 
      1   0.497511D+01 -0.364799D+02 -0.134466D+02  0.116421D+02 -0.120557D+02
      2  -0.725009D+01  0.466370D+02 -0.396508D+01 -0.227973D+02  0.855512D+01
      3   0.227499D+01 -0.101571D+02  0.174117D+02  0.111552D+02  0.350058D+01
      4   0.160756D+02 -0.800828D+02 -0.275064D+02  0.602613D+01  0.125530D+02
      5  -0.203885D+01  0.399620D+02 -0.201568D+02 -0.145337D+02  0.161550D+02
      6  -0.128492D+02  0.483586D+01  0.251952D+01 -0.324962D+01 -0.191747D+01
               266           267           268           269           270 
      1   0.919689D+01  0.715151D+01 -0.628239D+00  0.874974D+01 -0.994731D+01
      2  -0.168800D+02 -0.768564D+01 -0.135189D+01 -0.456871D+01 -0.969446D+01
      3   0.768312D+01  0.534138D+00  0.198013D+01 -0.418103D+01  0.196418D+02
      4  -0.101523D+02 -0.574383D+00  0.156692D+02  0.854770D+01 -0.911074D+01
      5   0.381900D+01 -0.913284D+01  0.199692D+01 -0.702786D+01  0.131087D+01
      6  -0.704936D+01  0.169854D+00 -0.249193D+01  0.529159D+00 -0.888264D+01
               271           272           273           274           275 
      1  -0.941263D+01  0.214170D+02 -0.162244D+01  0.154482D+02 -0.360614D+02
      2   0.301489D+02 -0.504896D+02 -0.351208D+00 -0.364025D+02  0.772997D+02
      3  -0.207363D+02  0.290726D+02  0.197365D+01  0.209543D+02 -0.412382D+02
      4  -0.320749D+02  0.428354D+02  0.163347D+01  0.310157D+02 -0.478306D+02
      5  -0.246502D+01  0.381647D+01  0.323207D+01  0.565447D+01 -0.780621D+01
      6  -0.357634D+01  0.571261D+01 -0.687570D+01 -0.367985D+01  0.292134D+01
               276           277           278           279           280 
      1  -0.426063D+01  0.210751D+01 -0.877485D+01 -0.208670D+01 -0.173842D+01
      2   0.653428D+01 -0.627152D+01  0.142264D+02  0.205993D+01  0.517865D+01
      3  -0.227365D+01  0.416401D+01 -0.545157D+01  0.267684D-01 -0.344023D+01
      4  -0.537110D+01 -0.398163D+01 -0.429419D+00 -0.614195D+01  0.741867D+01
      5  -0.254899D+01  0.266796D+01 -0.364768D+01 -0.105329D+00  0.128943D+01
      6   0.503884D+01 -0.474024D+01  0.630570D+01  0.160273D+01  0.854932D+01
               281           282           283           284           285 
      1  -0.796470D+01 -0.381170D+01 -0.659318D+01 -0.582576D+02 -0.291850D+02
      2   0.109636D+02  0.535686D+01  0.947329D+01  0.917056D+02  0.391551D+02
      3  -0.299890D+01 -0.154516D+01 -0.288010D+01 -0.334480D+02 -0.997013D+01
      4   0.135097D+02  0.971051D+01  0.758239D+01  0.243896D+02  0.993313D+01
      5   0.387957D+01  0.271202D+01  0.174010D+01 -0.105887D+01 -0.210031D+00
      6   0.936972D+01  0.104796D+02  0.531792D+01  0.484186D+02  0.322971D+02
               286           287           288           289           290 
      1  -0.544770D+01 -0.311694D+02 -0.207980D+02  0.102958D+03  0.248529D+02
      2   0.117033D+02  0.448260D+02  0.257620D+02 -0.643721D+02 -0.134623D+02
      3  -0.625563D+01 -0.136567D+02 -0.496394D+01 -0.385862D+02 -0.113906D+02
      4   0.104348D+02  0.184641D+02  0.119268D+02  0.620650D+02  0.238023D+02
      5   0.185471D+01  0.181607D+01  0.329215D+01  0.556966D+02  0.139342D+02
      6   0.462925D+01  0.343362D+02  0.219209D+02  0.167274D+02  0.673468D+01
               291           292           293           294           295 
      1   0.374355D+02  0.633972D+01  0.141034D+02  0.455285D+01  0.369588D+02
      2  -0.279733D+02 -0.182479D+01 -0.515531D+01 -0.317698D+01 -0.215875D+02
      3  -0.946222D+01 -0.451492D+01 -0.894810D+01 -0.137587D+01 -0.153713D+02
      4   0.242946D+02  0.235443D+02  0.125118D+02  0.112992D+02  0.273708D+02
      5   0.321059D+02  0.118771D+02  0.608517D+01  0.806256D+01  0.230441D+02
      6   0.975271D+01  0.918777D+01  0.407752D+01  0.647586D+01  0.718794D+01
               296           297           298           299           300 
      1   0.790509D+01  0.150014D+02  0.308164D+00  0.523947D+01 -0.105616D+01
      2  -0.462772D+01 -0.107309D+02  0.475462D+01  0.103681D+01  0.153379D+01
      3  -0.327737D+01 -0.427047D+01 -0.506278D+01 -0.627628D+01 -0.477630D+00
      4   0.949880D+01  0.118209D+02  0.189588D+02  0.241384D+02  0.145262D+02
      5   0.917968D+01  0.142744D+02  0.899619D+01  0.124244D+02  0.102309D+02
      6   0.511951D+01  0.486383D+01  0.101336D+02  0.130851D+02  0.860656D+01
               301           302           303           304           305 
      1  -0.605460D+01 -0.341669D+02 -0.165886D+02 -0.562275D+01 -0.919471D+01
      2   0.174437D+02  0.529228D+02  0.204159D+02  0.832190D+01  0.216826D+02
      3  -0.113891D+02 -0.187559D+02 -0.382731D+01 -0.269915D+01 -0.124879D+02
      4   0.329011D+02  0.661906D+02  0.330146D+02  0.217769D+02  0.401163D+02
      5   0.118615D+02  0.255343D+02  0.166539D+02  0.115068D+02  0.136121D+02
      6   0.192044D+02  0.501255D+02  0.306178D+02  0.135007D+02  0.261534D+02
               306           307           308           309           310 
      1  -0.836739D+01  0.748005D+02 -0.423969D+02 -0.362757D+01 -0.418794D+02
      2   0.896762D+01 -0.277970D+02  0.133359D+02  0.199773D+01  0.731326D+01
      3  -0.600231D+00 -0.470035D+02  0.290610D+02  0.162984D+01  0.345661D+02
      4   0.200138D+02 -0.737885D+02  0.503812D+02  0.181079D+01  0.644366D+02
      5   0.125362D+02 -0.100140D+02  0.235745D+01  0.814115D+01  0.101417D+02
      6   0.205175D+02 -0.113170D+01  0.166409D+01 -0.368515D+01 -0.153991D+01
               311           312           313           314           315 
      1   0.295787D+02  0.450298D+01 -0.502169D+01  0.223740D+01  0.122502D+01
      2   0.127689D+01 -0.201138D+01  0.446102D+00  0.166404D+01 -0.361541D+00
      3  -0.308556D+02 -0.249160D+01  0.457559D+01 -0.390144D+01 -0.863475D+00
      4  -0.587662D+02 -0.592802D+01  0.110434D+02 -0.121436D+02 -0.255179D+01
      5  -0.126273D+02 -0.712606D+01  0.511106D+01  0.105234D+01 -0.898859D+00
      6   0.258182D+01  0.435324D+01 -0.201567D+01  0.536990D+00  0.212818D+01
               316           317           318           319           320 
      1   0.158490D+03  0.855104D+01  0.305748D+02  0.190175D+02  0.106792D+02
      2  -0.978494D+02 -0.557148D+01 -0.215816D+02 -0.130784D+02 -0.672547D+01
      3  -0.606403D+02 -0.297956D+01 -0.899313D+01 -0.593910D+01 -0.395368D+01
      4   0.100052D+01  0.725246D+01 -0.104695D+01  0.181149D+02  0.533586D+01
      5   0.419471D+02  0.191422D+01  0.197338D+02  0.105838D+02  0.817094D+01
      6  -0.631060D+01  0.842849D+00 -0.223268D+01  0.173195D+01 -0.534577D+00
               321           322           323           324           325 
      1   0.683985D+01  0.432754D+02  0.454078D+01  0.110518D+02  0.174777D+02
      2  -0.557885D+01 -0.289279D+02 -0.202676D+01 -0.812347D+01  0.129206D+02
      3  -0.126100D+01 -0.143475D+02 -0.251403D+01 -0.292835D+01 -0.303983D+02
      4   0.392451D+01  0.387294D+01  0.245109D+01  0.323007D+00 -0.679730D+02
      5   0.463891D+01  0.144624D+02 -0.291284D+01  0.695554D+01 -0.150215D+02
      6   0.122404D+01 -0.908220D+00  0.206748D+01  0.836575D+00  0.110958D+02
               326           327           328           329           330 
      1  -0.527043D+01 -0.272845D+01  0.392708D+01 -0.829464D+01 -0.221954D+01
      2  -0.226773D+02 -0.293658D+01 -0.267736D+02  0.399425D+02  0.760269D+01
      3   0.279477D+02  0.566503D+01  0.228465D+02 -0.316478D+02 -0.538315D+01
      4   0.607142D+02  0.160254D+02  0.508209D+02 -0.645239D+02 -0.168342D+02
      5   0.145666D+02  0.971478D+01  0.141546D+02 -0.130489D+02 -0.812016D+01
      6  -0.123920D+02 -0.824306D+01 -0.147784D+02  0.159047D+02  0.109544D+02
               331           332           333           334           335 
      1   0.489263D+00 -0.429894D+00  0.114030D-01 -0.745723D+01 -0.159861D+02
      2  -0.983132D+01  0.622822D+01  0.289100D+01  0.110946D+02  0.213293D+02
      3   0.934206D+01 -0.579833D+01 -0.290240D+01 -0.363733D+01 -0.534322D+01
      4   0.159914D+02 -0.164717D+02 -0.581423D+01  0.428780D+01  0.158941D+02
      5   0.421410D+01 -0.644905D+01 -0.385388D+01 -0.105762D+01  0.235333D+01
      6  -0.161585D+01  0.828130D+01  0.367909D+01  0.423933D+01  0.668740D+01
               336           337           338           339           340 
      1  -0.388675D+01 -0.361777D+01 -0.844226D+02 -0.241904D+02 -0.308848D+00
      2   0.466333D+01  0.368927D+01  0.125555D+03  0.310095D+02  0.258794D+01
      3  -0.776581D+00 -0.714999D-01 -0.411321D+02 -0.681907D+01 -0.227909D+01
      4   0.319495D+01  0.658004D+01 -0.126046D+02 -0.362408D+01  0.102348D+00
      5   0.250535D+01  0.954406D+00 -0.592898D+01 -0.312097D+01  0.321906D+01
      6   0.331006D+01  0.280388D+01  0.477156D+02  0.221442D+02 -0.298123D+01
               341           342           343           344           345 
      1  -0.290702D+02 -0.901734D+01 -0.324455D+01 -0.621174D+01 -0.106089D+01
      2   0.432160D+02  0.115007D+02  0.118360D+02  0.177052D+02  0.327314D+01
      3  -0.141458D+02 -0.248341D+01 -0.859142D+01 -0.114935D+02 -0.221226D+01
      4  -0.718368D+01 -0.135930D+01  0.140212D+02  0.251470D+02  0.583183D+01
      5  -0.956771D+00 -0.142173D+00  0.214379D+01  0.471706D+01  0.379961D+01
      6   0.159012D+02  0.100340D+02  0.449249D+01  0.385884D+01  0.270739D+01
               346           347           348           349           350 
      1  -0.141026D+02 -0.565827D+02 -0.153232D+02 -0.334956D+01 -0.204085D+02
      2   0.273492D+02  0.971947D+02  0.228265D+02  0.586422D+01  0.314555D+02
      3  -0.132465D+02 -0.406120D+02 -0.750328D+01 -0.251466D+01 -0.110470D+02
      4   0.222752D+02  0.516211D+02  0.143460D+02  0.677883D+01  0.156266D+02
      5   0.606955D+01  0.136544D+02  0.627583D+01  0.188083D+01  0.471797D+01
      6   0.946973D+01  0.284978D+02  0.163206D+02  0.403712D+01  0.138958D+02
               351           352           353           354           355 
      1  -0.817645D+01  0.502992D+02  0.191543D+02 -0.100796D+01  0.995869D+01
      2   0.106015D+02 -0.134729D+02  0.663023D+00  0.829904D+00  0.508290D+01
      3  -0.242504D+01 -0.368263D+02 -0.198173D+02  0.178056D+00 -0.150416D+02
      4   0.516751D+01  0.719294D+02  0.411074D+02 -0.188882D+01  0.311864D+02
      5   0.260746D+01 -0.321395D+01 -0.977462D+00  0.727092D+01  0.274511D+01
      6   0.791489D+01 -0.594258D+01 -0.353617D+01  0.488421D+01  0.108521D+01
               356           357           358           359           360 
      1   0.561948D+01  0.747627D+00 -0.377233D+01 -0.814403D+00  0.215446D+01
      2   0.690685D+01 -0.399001D+00  0.479062D+01  0.224661D+01 -0.417600D+00
      3  -0.125263D+02 -0.348626D+00 -0.101829D+01 -0.143220D+01 -0.173686D+01
      4   0.252688D+02  0.210768D+01  0.154878D+01  0.429258D+01  0.272499D+01
      5   0.128332D+01  0.210638D+01  0.222609D+01  0.192092D+01  0.190338D+01
      6  -0.111061D+01  0.188708D+01  0.404274D+00  0.135044D+01  0.119758D+01
               361           362           363           364           365 
      1   0.129043D+03 -0.162315D+02 -0.269140D+02 -0.958359D+01  0.220272D+02
      2  -0.786063D+02  0.946236D+01  0.207124D+02  0.619738D+01 -0.146505D+02
      3  -0.504365D+02  0.676918D+01  0.620163D+01  0.338621D+01 -0.737672D+01
      4  -0.135940D+02  0.314317D+02  0.552353D+01  0.664434D+02 -0.208204D+02
      5  -0.507589D+02  0.863503D+01  0.413793D+02  0.568232D+01 -0.259495D+02
      6   0.192846D+01 -0.809192D+01 -0.125694D+01 -0.224459D+02  0.744212D+01
               366           367           368           369           370 
      1  -0.149189D+01  0.131286D+01 -0.102426D+01  0.609582D+01 -0.295412D+01
      2  -0.507813D+01  0.226688D+02 -0.413562D+01 -0.465287D+02  0.159703D+01
      3   0.657001D+01 -0.239817D+02  0.515988D+01  0.404329D+02  0.135709D+01
      4  -0.264370D+02  0.940664D+01 -0.130105D+02 -0.261456D+01 -0.184485D+01
      5  -0.124408D+02  0.623949D+02 -0.131391D+02 -0.519439D+02  0.399351D+01
      6   0.230844D+02 -0.135046D+01  0.155137D+02 -0.331922D+01  0.618163D+00
               371           372           373           374           375 
      1  -0.841526D+00  0.110606D+01 -0.364678D+01 -0.611660D+01 -0.105647D+01
      2  -0.172994D+01 -0.112202D+01  0.213489D+01 -0.296095D+01 -0.342912D+01
      3   0.257147D+01  0.159549D-01  0.151189D+01  0.907755D+01  0.448559D+01
      4  -0.135369D+01  0.114128D+01 -0.633472D+00 -0.436285D+01 -0.348115D+00
      5   0.341359D+01 -0.141380D+01  0.306466D+01  0.373611D+01 -0.308138D+01
      6  -0.866262D+00 -0.111001D+00 -0.558874D-01  0.559205D+00  0.158233D+01
               376           377           378 
      1  -0.147398D+01 -0.595063D+00 -0.393211D+01
      2   0.138153D+01 -0.211658D+01 -0.170757D+01
      3   0.924474D-01  0.271164D+01  0.563968D+01
      4   0.124270D+01 -0.508525D+00 -0.130572D+01
      5   0.186788D+01  0.508243D+00  0.512220D-01
      6  -0.834283D+00  0.191020D+01  0.162839D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Jul 19 23:36:45 2021, MaxMem=  5637144576 cpu:         1405002.0 elap:          176341.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -483.15623 -62.70728 -56.49947 -56.49610 -56.49604
 Alpha  occ. eigenvalues --  -10.35700 -10.32459 -10.32418 -10.32326 -10.32115
 Alpha  occ. eigenvalues --  -10.31969 -10.31874 -10.31839 -10.31659 -10.31421
 Alpha  occ. eigenvalues --  -10.31402 -10.31282 -10.31160 -10.31028 -10.30961
 Alpha  occ. eigenvalues --  -10.30952 -10.30917 -10.30855 -10.30805 -10.30724
 Alpha  occ. eigenvalues --  -10.30552 -10.30476 -10.30158 -10.30095 -10.30014
 Alpha  occ. eigenvalues --  -10.29857  -8.83374  -6.65558  -6.64292  -6.64276
 Alpha  occ. eigenvalues --   -2.75538  -2.75162  -2.75153  -2.74132  -2.74131
 Alpha  occ. eigenvalues --   -1.01161  -0.99270  -0.97647  -0.95507  -0.93323
 Alpha  occ. eigenvalues --   -0.91084  -0.90469  -0.88882  -0.87335  -0.85926
 Alpha  occ. eigenvalues --   -0.84615  -0.83444  -0.82005  -0.81328  -0.74980
 Alpha  occ. eigenvalues --   -0.74411  -0.72388  -0.71774  -0.71335  -0.70344
 Alpha  occ. eigenvalues --   -0.67658  -0.65916  -0.63609  -0.62540  -0.61095
 Alpha  occ. eigenvalues --   -0.60442  -0.59309  -0.58159  -0.56790  -0.55694
 Alpha  occ. eigenvalues --   -0.54715  -0.54349  -0.53329  -0.52845  -0.52224
 Alpha  occ. eigenvalues --   -0.51825  -0.51282  -0.51228  -0.50405  -0.49941
 Alpha  occ. eigenvalues --   -0.49498  -0.48192  -0.47259  -0.47134  -0.46143
 Alpha  occ. eigenvalues --   -0.45604  -0.45260  -0.44543  -0.43301  -0.42757
 Alpha  occ. eigenvalues --   -0.42142  -0.41061  -0.40704  -0.39612  -0.38024
 Alpha  occ. eigenvalues --   -0.37730  -0.36950  -0.36526  -0.33663  -0.30842
 Alpha  occ. eigenvalues --   -0.30598  -0.28133  -0.28004
 Alpha virt. eigenvalues --   -0.01143  -0.00363   0.02304   0.02562   0.03251
 Alpha virt. eigenvalues --    0.03538   0.03757   0.04401   0.04571   0.05134
 Alpha virt. eigenvalues --    0.05742   0.05831   0.06122   0.06239   0.06450
 Alpha virt. eigenvalues --    0.07147   0.07290   0.07489   0.07802   0.08608
 Alpha virt. eigenvalues --    0.08901   0.09013   0.09310   0.09743   0.09817
 Alpha virt. eigenvalues --    0.10339   0.10501   0.11015   0.11174   0.11359
 Alpha virt. eigenvalues --    0.12090   0.12416   0.12634   0.12708   0.12842
 Alpha virt. eigenvalues --    0.13144   0.13471   0.13672   0.13780   0.13888
 Alpha virt. eigenvalues --    0.14212   0.14639   0.14703   0.14753   0.15188
 Alpha virt. eigenvalues --    0.15316   0.15769   0.15971   0.16239   0.16317
 Alpha virt. eigenvalues --    0.16476   0.16827   0.16952   0.17125   0.17503
 Alpha virt. eigenvalues --    0.17640   0.17890   0.18125   0.18370   0.18508
 Alpha virt. eigenvalues --    0.18686   0.18869   0.19226   0.19851   0.20036
 Alpha virt. eigenvalues --    0.20633   0.20967   0.21120   0.21315   0.21691
 Alpha virt. eigenvalues --    0.21820   0.21829   0.22083   0.22511   0.22719
 Alpha virt. eigenvalues --    0.23024   0.23363   0.23679   0.24028   0.24562
 Alpha virt. eigenvalues --    0.25016   0.25099   0.25331   0.25589   0.25975
 Alpha virt. eigenvalues --    0.26271   0.26505   0.26968   0.27083   0.27131
 Alpha virt. eigenvalues --    0.27573   0.27777   0.28062   0.28237   0.28465
 Alpha virt. eigenvalues --    0.28646   0.28763   0.28949   0.29045   0.29231
 Alpha virt. eigenvalues --    0.29291   0.29730   0.29962   0.30118   0.30333
 Alpha virt. eigenvalues --    0.30429   0.30499   0.30787   0.30934   0.31148
 Alpha virt. eigenvalues --    0.31351   0.31463   0.31719   0.31795   0.32013
 Alpha virt. eigenvalues --    0.32577   0.32802   0.32994   0.33233   0.33255
 Alpha virt. eigenvalues --    0.33614   0.33891   0.33939   0.34342   0.34544
 Alpha virt. eigenvalues --    0.34634   0.34787   0.34992   0.35127   0.35331
 Alpha virt. eigenvalues --    0.35926   0.36003   0.36349   0.36451   0.36887
 Alpha virt. eigenvalues --    0.37061   0.37124   0.37152   0.37645   0.37985
 Alpha virt. eigenvalues --    0.38154   0.38361   0.38792   0.39145   0.39222
 Alpha virt. eigenvalues --    0.39671   0.39946   0.40292   0.40647   0.40752
 Alpha virt. eigenvalues --    0.41042   0.41449   0.41679   0.41807   0.41962
 Alpha virt. eigenvalues --    0.42406   0.42791   0.43268   0.43334   0.43615
 Alpha virt. eigenvalues --    0.43946   0.44055   0.44408   0.44871   0.45034
 Alpha virt. eigenvalues --    0.45367   0.45838   0.46020   0.46137   0.46537
 Alpha virt. eigenvalues --    0.47393   0.47780   0.48124   0.48465   0.48872
 Alpha virt. eigenvalues --    0.49018   0.49530   0.49660   0.49926   0.51032
 Alpha virt. eigenvalues --    0.51141   0.51511   0.51751   0.52179   0.52508
 Alpha virt. eigenvalues --    0.52925   0.53094   0.53624   0.53984   0.54325
 Alpha virt. eigenvalues --    0.54420   0.55234   0.55343   0.55846   0.55950
 Alpha virt. eigenvalues --    0.56549   0.56634   0.57102   0.58054   0.58245
 Alpha virt. eigenvalues --    0.58738   0.58768   0.59206   0.59260   0.59529
 Alpha virt. eigenvalues --    0.59797   0.60234   0.60415   0.60627   0.61098
 Alpha virt. eigenvalues --    0.61178   0.61398   0.61574   0.62197   0.62240
 Alpha virt. eigenvalues --    0.62630   0.62953   0.63327   0.63580   0.64214
 Alpha virt. eigenvalues --    0.64330   0.64504   0.65037   0.65306   0.65342
 Alpha virt. eigenvalues --    0.65806   0.66036   0.66198   0.66357   0.66604
 Alpha virt. eigenvalues --    0.66951   0.67056   0.67473   0.67584   0.67839
 Alpha virt. eigenvalues --    0.68096   0.68260   0.68624   0.68981   0.69187
 Alpha virt. eigenvalues --    0.69202   0.69505   0.69834   0.69939   0.70041
 Alpha virt. eigenvalues --    0.70528   0.70810   0.70929   0.71154   0.71691
 Alpha virt. eigenvalues --    0.72000   0.72173   0.72432   0.72649   0.73109
 Alpha virt. eigenvalues --    0.73431   0.73712   0.74074   0.74352   0.74604
 Alpha virt. eigenvalues --    0.75124   0.75158   0.75501   0.75929   0.76553
 Alpha virt. eigenvalues --    0.77065   0.77522   0.77658   0.78117   0.78372
 Alpha virt. eigenvalues --    0.78515   0.79129   0.79248   0.79836   0.79939
 Alpha virt. eigenvalues --    0.80091   0.80643   0.81377   0.81585   0.81972
 Alpha virt. eigenvalues --    0.82360   0.82752   0.83107   0.83363   0.83520
 Alpha virt. eigenvalues --    0.84101   0.84475   0.84689   0.84986   0.85368
 Alpha virt. eigenvalues --    0.86046   0.86109   0.86305   0.86515   0.86772
 Alpha virt. eigenvalues --    0.87149   0.87514   0.87606   0.87888   0.87987
 Alpha virt. eigenvalues --    0.88554   0.89130   0.89249   0.89594   0.89927
 Alpha virt. eigenvalues --    0.90377   0.90810   0.91019   0.91226   0.91734
 Alpha virt. eigenvalues --    0.92294   0.92527   0.92868   0.93701   0.93811
 Alpha virt. eigenvalues --    0.94139   0.94861   0.95037   0.95279   0.95494
 Alpha virt. eigenvalues --    0.95917   0.96400   0.96719   0.97353   0.97761
 Alpha virt. eigenvalues --    0.97803   0.98792   0.99088   0.99163   0.99780
 Alpha virt. eigenvalues --    1.00723   1.01047   1.01719   1.02248   1.02690
 Alpha virt. eigenvalues --    1.03611   1.05235   1.05434   1.06314   1.07628
 Alpha virt. eigenvalues --    1.08076   1.08278   1.09346   1.09934   1.10587
 Alpha virt. eigenvalues --    1.10823   1.11545   1.12009   1.12684   1.13293
 Alpha virt. eigenvalues --    1.13485   1.14132   1.14336   1.14731   1.16103
 Alpha virt. eigenvalues --    1.16625   1.16744   1.17627   1.18512   1.19069
 Alpha virt. eigenvalues --    1.19271   1.19822   1.20553   1.21195   1.21456
 Alpha virt. eigenvalues --    1.22516   1.23714   1.23974   1.24806   1.25224
 Alpha virt. eigenvalues --    1.25913   1.26569   1.27373   1.27524   1.28614
 Alpha virt. eigenvalues --    1.29337   1.30096   1.31163   1.32775   1.33163
 Alpha virt. eigenvalues --    1.33846   1.34280   1.35020   1.35172   1.35429
 Alpha virt. eigenvalues --    1.36458   1.36806   1.37330   1.38012   1.38144
 Alpha virt. eigenvalues --    1.38620   1.39035   1.40266   1.40500   1.41919
 Alpha virt. eigenvalues --    1.41975   1.42341   1.43422   1.43445   1.44010
 Alpha virt. eigenvalues --    1.44461   1.44756   1.45238   1.45550   1.45677
 Alpha virt. eigenvalues --    1.46046   1.46619   1.46900   1.47614   1.47866
 Alpha virt. eigenvalues --    1.48656   1.49440   1.49974   1.50365   1.50496
 Alpha virt. eigenvalues --    1.51109   1.51309   1.51964   1.52738   1.53086
 Alpha virt. eigenvalues --    1.54171   1.54415   1.55332   1.55854   1.55905
 Alpha virt. eigenvalues --    1.56385   1.56850   1.57263   1.57714   1.58357
 Alpha virt. eigenvalues --    1.58751   1.59330   1.59625   1.60322   1.61041
 Alpha virt. eigenvalues --    1.61575   1.61968   1.62715   1.63331   1.63365
 Alpha virt. eigenvalues --    1.64145   1.64893   1.65364   1.66245   1.66730
 Alpha virt. eigenvalues --    1.67004   1.67493   1.67622   1.68778   1.69169
 Alpha virt. eigenvalues --    1.69447   1.69721   1.70045   1.70805   1.71242
 Alpha virt. eigenvalues --    1.71591   1.71801   1.72280   1.72557   1.73269
 Alpha virt. eigenvalues --    1.73578   1.74057   1.74705   1.75280   1.76092
 Alpha virt. eigenvalues --    1.76467   1.76944   1.77486   1.77872   1.78390
 Alpha virt. eigenvalues --    1.79219   1.79505   1.80290   1.81109   1.81261
 Alpha virt. eigenvalues --    1.81898   1.82033   1.82407   1.82610   1.83336
 Alpha virt. eigenvalues --    1.83409   1.83917   1.84540   1.84558   1.85563
 Alpha virt. eigenvalues --    1.86151   1.86342   1.86561   1.86955   1.87514
 Alpha virt. eigenvalues --    1.87782   1.88909   1.89548   1.89773   1.90427
 Alpha virt. eigenvalues --    1.91460   1.91541   1.91904   1.92649   1.93360
 Alpha virt. eigenvalues --    1.93823   1.94246   1.95400   1.95784   1.96085
 Alpha virt. eigenvalues --    1.96189   1.97179   1.97465   1.97701   1.98466
 Alpha virt. eigenvalues --    1.99399   1.99624   2.00428   2.00602   2.01510
 Alpha virt. eigenvalues --    2.01849   2.02178   2.02886   2.03450   2.04188
 Alpha virt. eigenvalues --    2.04734   2.05322   2.05714   2.06161   2.06449
 Alpha virt. eigenvalues --    2.07475   2.08668   2.08910   2.09488   2.10303
 Alpha virt. eigenvalues --    2.10839   2.11064   2.11569   2.11782   2.12590
 Alpha virt. eigenvalues --    2.13005   2.13817   2.14282   2.15094   2.15557
 Alpha virt. eigenvalues --    2.15871   2.16239   2.16774   2.17313   2.18192
 Alpha virt. eigenvalues --    2.19135   2.19202   2.20303   2.21224   2.21904
 Alpha virt. eigenvalues --    2.22355   2.22700   2.23266   2.23980   2.25051
 Alpha virt. eigenvalues --    2.25309   2.25965   2.26138   2.26246   2.28025
 Alpha virt. eigenvalues --    2.28216   2.28354   2.30334   2.30536   2.31008
 Alpha virt. eigenvalues --    2.31902   2.33711   2.33799   2.34920   2.35344
 Alpha virt. eigenvalues --    2.35689   2.36588   2.38004   2.38217   2.38714
 Alpha virt. eigenvalues --    2.39949   2.40041   2.41292   2.42251   2.43316
 Alpha virt. eigenvalues --    2.44024   2.45309   2.46667   2.47311   2.47804
 Alpha virt. eigenvalues --    2.49049   2.50089   2.52134   2.52685   2.54206
 Alpha virt. eigenvalues --    2.55363   2.56314   2.57338   2.57628   2.63019
 Alpha virt. eigenvalues --    2.63332   2.63747   2.64559   2.65272   2.66196
 Alpha virt. eigenvalues --    2.67867   2.70669   2.72370   2.73824   2.74744
 Alpha virt. eigenvalues --    2.75747   2.75941   2.78168   2.79204   2.79758
 Alpha virt. eigenvalues --    2.81675   2.83192   2.84194   2.86116   2.87069
 Alpha virt. eigenvalues --    2.89980   2.91443   2.93925   2.94192   2.97205
 Alpha virt. eigenvalues --    2.99237   2.99801   3.01971   3.02781   3.04536
 Alpha virt. eigenvalues --    3.07012   3.09866   3.12385   3.15134   3.18644
 Alpha virt. eigenvalues --    3.27530   3.29512   3.33687   3.36415   3.38592
 Alpha virt. eigenvalues --    3.43953   3.45933   3.50199   3.51921   3.54031
 Alpha virt. eigenvalues --    3.56412   3.58570   3.63553   3.76127   3.80118
 Alpha virt. eigenvalues --    3.90516   3.93205   4.00798   4.16071   4.42501
 Alpha virt. eigenvalues --    4.44029   4.48206   4.83549   4.95145
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  H    3.889786  -2.687055   1.245712  -0.183602  -0.038965  -0.004733
     2  C   -2.687055  37.105767 -11.419731   1.184319   5.925864   0.101673
     3  C    1.245712 -11.419731  22.112771  -2.042761  -7.561877   0.871473
     4  H   -0.183602   1.184319  -2.042761   2.629033   0.896837  -0.127918
     5  C   -0.038965   5.925864  -7.561877   0.896837  20.068067  -2.054359
     6  H   -0.004733   0.101673   0.871473  -0.127918  -2.054359   2.465757
     7  C    0.117393  -7.696264   6.790504  -0.278199  -9.722177   0.922995
     8  H    0.002863   0.248524  -0.594543  -0.028466   1.096772  -0.152066
     9  C   -0.425061  -1.917692  -6.251181   0.058118   2.421482  -0.226165
    10  C   -0.044650  -0.588195  -0.586738  -0.028244   0.006728   0.028447
    11  C    0.660532  -7.347069   1.991001  -0.271903  -2.257514  -0.152017
    12  C    0.229433  -6.609130   1.354188  -0.178024  -2.095010   0.064390
    13  C   -0.055996  -0.641095  -0.470657  -0.018865   0.002254   0.018003
    14  C    0.025125  -0.512104   1.099779   0.019953  -1.384424  -0.012144
    15  C   -0.465449   2.861661  -0.088494   0.043347   0.474709   0.002733
    16  C    0.111006  -0.237750   0.439581   0.007535  -0.077312  -0.003258
    17  C    0.048358   0.551208  -0.110827  -0.006360   0.020970   0.001233
    18  C   -0.033951  -0.937045   0.300211   0.005508  -0.323348  -0.004205
    19  C    0.102864  -1.284283   0.094962   0.066908   0.260787   0.003400
    20  C   -0.018157  -0.141460  -0.425552   0.007427   0.115149   0.004772
    21  C    0.031514   0.520678   0.182390   0.001645   0.045557   0.001187
    22  C   -0.013715  -0.544820  -0.258003  -0.005410  -0.039036  -0.000311
    23  C   -0.403036  -1.399327   0.257377  -0.053382  -0.357731  -0.037200
    24  C   -0.140341  -0.228950  -0.296890  -0.009241  -0.137985  -0.002087
    25  C    0.047083   0.071836   0.267771   0.024183   0.144690   0.001725
    26  C    0.148888   0.364110  -0.465151   0.009508   0.334446   0.002747
    27  C   -0.005697  -0.358235   0.338816   0.017211  -0.263412  -0.002469
    28  C   -0.033890  -0.058233  -0.352364  -0.009630   0.332957  -0.006450
    29  C   -0.111794   0.675343   0.013019   0.029611  -0.239967   0.000013
    30  C    0.008603  -0.219903  -0.145232   0.015073   0.267924   0.003313
    31  H   -0.003964  -0.129727   0.081978   0.003970  -0.037531  -0.006469
    32  H    0.004133   0.010109  -0.005930  -0.000773   0.006247   0.001126
    33  H   -0.004787   0.002639  -0.006510  -0.000069   0.001428   0.000057
    34  H    0.001954   0.028526   0.007155   0.000022  -0.004633  -0.000069
    35  H   -0.002310  -0.011522  -0.000380   0.000130   0.000781   0.000017
    36  H   -0.001912   0.023878  -0.000894  -0.000031   0.000069   0.000000
    37  H   -0.002515  -0.006564   0.012603  -0.000745  -0.001130  -0.000037
    38  H    0.009103   0.001057  -0.012736   0.001424  -0.001716  -0.000061
    39  H    0.003466   0.011441  -0.004436  -0.002408  -0.000310  -0.000024
    40  H    0.001601   0.007294   0.000255   0.000476  -0.007360   0.000352
    41  Br   0.003085   0.044963  -0.048010  -0.002906   0.015688   0.000934
    42  H   -0.030183   0.045154  -0.039814   0.008457  -0.020820  -0.000218
               7          8          9         10         11         12
     1  H    0.117393   0.002863  -0.425061  -0.044650   0.660532   0.229433
     2  C   -7.696264   0.248524  -1.917692  -0.588195  -7.347069  -6.609130
     3  C    6.790504  -0.594543  -6.251181  -0.586738   1.991001   1.354188
     4  H   -0.278199  -0.028466   0.058118  -0.028244  -0.271903  -0.178024
     5  C   -9.722177   1.096772   2.421482   0.006728  -2.257514  -2.095010
     6  H    0.922995  -0.152066  -0.226165   0.028447  -0.152017   0.064390
     7  C   31.751799  -3.769237  -7.085968  -3.282729  -5.477234   0.681309
     8  H   -3.769237   3.120521   1.813524   0.182389   0.412739  -0.036100
     9  C   -7.085968   1.813524  31.231555  -2.372346 -10.306902  -2.287541
    10  C   -3.282729   0.182389  -2.372346  27.323678  -4.244854   4.002898
    11  C   -5.477234   0.412739 -10.306902  -4.244854  51.191246  -8.951027
    12  C    0.681309  -0.036100  -2.287541   4.002898  -8.951027  47.518174
    13  C    0.444742  -0.035593   2.639484  -1.868462  -3.027169  -6.525943
    14  C    1.547647  -0.200057  -1.634944  -9.672653   3.066710  -5.703067
    15  C   -0.885775   0.011399  -0.858769  -0.783855  -5.413599  -6.121461
    16  C    0.030585   0.000511  -0.613598   0.409655  -0.526862  -3.643262
    17  C   -0.075701  -0.002435   1.119338  -2.841700  -0.461809   2.304355
    18  C    0.496515  -0.011042  -1.241002   1.244727  -1.466138  -3.467488
    19  C    0.118433  -0.001064   0.887723   0.058299  -1.570470  -1.701169
    20  C   -0.019132  -0.000046   0.031499   0.058935  -0.398541  -0.232786
    21  C   -0.050590  -0.000238  -0.311870  -0.107366  -0.273126  -1.594591
    22  C    0.028754  -0.000077   0.491208  -0.272306  -0.655173   1.018891
    23  C    0.326182   0.020302  -0.291205   0.150906   2.096076  -0.973028
    24  C    0.010260  -0.000090   0.221747   0.056082   0.158768  -0.930800
    25  C   -0.042513   0.000053  -0.174042  -0.077251  -0.239631   0.126911
    26  C   -0.233286  -0.000616  -0.195812  -0.050363  -0.126925   1.131758
    27  C    0.089848   0.002125  -0.135464   0.016277  -0.095462   0.382128
    28  C   -0.174745  -0.003807   0.336340   0.066993   0.339270  -0.260499
    29  C    0.172220  -0.002437  -0.164821  -0.000454  -0.127601  -0.352428
    30  C   -0.508331   0.019132   0.600134  -0.062040  -0.114310  -1.849212
    31  H    0.700757  -0.163869  -0.210631  -3.157090   0.021575  -0.556690
    32  H   -0.000365   0.000461   0.148069   1.787948  -0.615521   0.551483
    33  H    0.001827  -0.000023   0.016748   0.004869  -0.045055  -0.269209
    34  H   -0.017828  -0.000646  -0.000496  -0.334751  -0.013051   0.674110
    35  H   -0.000450  -0.000011  -0.000079  -0.001101   0.012765   0.012520
    36  H    0.000100  -0.000015  -0.005488   0.000301  -0.005538  -0.079046
    37  H    0.000512   0.000017  -0.002649   0.001794  -0.021725   0.061461
    38  H    0.000249  -0.000024   0.002710  -0.001481   0.017103  -0.017442
    39  H    0.001683   0.000109  -0.000419   0.000777   0.016913  -0.008989
    40  H    0.001261  -0.000057   0.000419   0.000051  -0.046729   0.013668
    41  Br  -0.036746  -0.000253   0.051296   0.050133  -0.131738   0.072681
    42  H   -0.000279   0.006394   0.170630   0.022232  -0.365902   0.092352
              13         14         15         16         17         18
     1  H   -0.055996   0.025125  -0.465449   0.111006   0.048358  -0.033951
     2  C   -0.641095  -0.512104   2.861661  -0.237750   0.551208  -0.937045
     3  C   -0.470657   1.099779  -0.088494   0.439581  -0.110827   0.300211
     4  H   -0.018865   0.019953   0.043347   0.007535  -0.006360   0.005508
     5  C    0.002254  -1.384424   0.474709  -0.077312   0.020970  -0.323348
     6  H    0.018003  -0.012144   0.002733  -0.003258   0.001233  -0.004205
     7  C    0.444742   1.547647  -0.885775   0.030585  -0.075701   0.496515
     8  H   -0.035593  -0.200057   0.011399   0.000511  -0.002435  -0.011042
     9  C    2.639484  -1.634944  -0.858769  -0.613598   1.119338  -1.241002
    10  C   -1.868462  -9.672653  -0.783855   0.409655  -2.841700   1.244727
    11  C   -3.027169   3.066710  -5.413599  -0.526862  -0.461809  -1.466138
    12  C   -6.525943  -5.703067  -6.121461  -3.643262   2.304355  -3.467488
    13  C   24.033769  -2.305817  -2.266917  -0.441135   2.345837  -5.062743
    14  C   -2.305817  27.651055  -1.128532  -0.736059   0.125847  -1.985265
    15  C   -2.266917  -1.128532  40.105930  -3.903874  -3.448995   2.100561
    16  C   -0.441135  -0.736059  -3.903874  25.707192  -6.532370   3.175526
    17  C    2.345837   0.125847  -3.448995  -6.532370  32.521121 -15.115900
    18  C   -5.062743  -1.985265   2.100561   3.175526 -15.115900  31.865534
    19  C   -0.494682  -0.774329  -5.526743  -3.737839   0.036960  -1.207233
    20  C    0.271374  -0.159545  -2.113901  -0.065833  -0.821554   0.789891
    21  C    0.952259  -0.029477   3.131323   3.550071  -0.972017  -2.545040
    22  C   -1.369716  -0.458185  -3.977182  -7.196821  -0.493629  -0.445824
    23  C    0.332610  -0.028592  -5.140702  -0.235178  -0.863707   0.203198
    24  C   -0.195719  -0.147776  -1.151605  -0.596975  -0.454202  -0.114186
    25  C    0.091954   0.072508  -0.116381   0.072009  -0.270557  -0.087432
    26  C   -0.025495   0.103101  -2.133912  -0.466267   0.203720  -0.095064
    27  C    0.021260  -0.029749  -1.545021   0.034676  -0.006413  -0.018312
    28  C   -0.036360  -0.038513   0.715315  -0.015463  -0.025559   0.003890
    29  C   -0.364745  -0.091611   0.713151   0.431889  -0.087734   0.017642
    30  C   -0.786089  -0.273832   2.948889  -0.100365  -0.272517   0.157338
    31  H    0.163198   2.215484   0.088225   0.005080   0.012345   0.025378
    32  H   -0.072321  -2.877642  -0.022265   0.056429  -0.212758   0.412962
    33  H   -0.233135   0.073486   0.304251   0.572388  -3.473148   2.480714
    34  H    0.552285  -0.118265  -0.327561  -0.382837   2.582068  -3.640415
    35  H   -0.015626   0.002779  -0.333216  -0.494458   0.149132   0.020332
    36  H    0.031759  -0.009234   0.407308   0.927039  -0.141830  -0.281029
    37  H    0.006482  -0.002485   0.013423   0.026114  -0.017343  -0.002241
    38  H   -0.001694   0.001666   0.052962   0.010731  -0.000049   0.000094
    39  H    0.000965  -0.000801   0.029957   0.001112   0.000695  -0.000637
    40  H    0.001494  -0.000452  -0.007669  -0.002449  -0.000943   0.001238
    41  Br   0.035724  -0.026610   0.032778  -0.005766  -0.001542   0.016651
    42  H   -0.011323  -0.132866  -0.186196   0.098023   0.007545  -0.003126
              19         20         21         22         23         24
     1  H    0.102864  -0.018157   0.031514  -0.013715  -0.403036  -0.140341
     2  C   -1.284283  -0.141460   0.520678  -0.544820  -1.399327  -0.228950
     3  C    0.094962  -0.425552   0.182390  -0.258003   0.257377  -0.296890
     4  H    0.066908   0.007427   0.001645  -0.005410  -0.053382  -0.009241
     5  C    0.260787   0.115149   0.045557  -0.039036  -0.357731  -0.137985
     6  H    0.003400   0.004772   0.001187  -0.000311  -0.037200  -0.002087
     7  C    0.118433  -0.019132  -0.050590   0.028754   0.326182   0.010260
     8  H   -0.001064  -0.000046  -0.000238  -0.000077   0.020302  -0.000090
     9  C    0.887723   0.031499  -0.311870   0.491208  -0.291205   0.221747
    10  C    0.058299   0.058935  -0.107366  -0.272306   0.150906   0.056082
    11  C   -1.570470  -0.398541  -0.273126  -0.655173   2.096076   0.158768
    12  C   -1.701169  -0.232786  -1.594591   1.018891  -0.973028  -0.930800
    13  C   -0.494682   0.271374   0.952259  -1.369716   0.332610  -0.195719
    14  C   -0.774329  -0.159545  -0.029477  -0.458185  -0.028592  -0.147776
    15  C   -5.526743  -2.113901   3.131323  -3.977182  -5.140702  -1.151605
    16  C   -3.737839  -0.065833   3.550071  -7.196821  -0.235178  -0.596975
    17  C    0.036960  -0.821554  -0.972017  -0.493629  -0.863707  -0.454202
    18  C   -1.207233   0.789891  -2.545040  -0.445824   0.203198  -0.114186
    19  C   45.946615  -5.670029  -3.517868   2.190923  -9.455566  -5.798776
    20  C   -5.670029  22.980540  -5.911915   3.659056  -3.393699  -2.498484
    21  C   -3.517868  -5.911915  32.944535 -16.578621  -0.918570  -1.786822
    22  C    2.190923   3.659056 -16.578621  33.960746  -1.178668  -0.720009
    23  C   -9.455566  -3.393699  -0.918570  -1.178668  55.243183   2.904119
    24  C   -5.798776  -2.498484  -1.786822  -0.720009   2.904119  26.471396
    25  C    4.722302  -1.624247   1.182701  -2.290948  -4.598494  -8.800061
    26  C   -1.332259   1.735352  -0.919374   0.761181  -7.269626  -1.563103
    27  C   -0.324060  -0.453020   0.764552  -0.155549  -7.024017   3.409623
    28  C   -0.805221  -0.044691  -0.356596   0.039338  -2.675266  -1.671344
    29  C   -0.675684  -0.184830   0.139120   0.025183  -1.205429   0.803592
    30  C   -5.044819  -0.329180  -1.302052   0.835022  -8.668541  -0.212710
    31  H   -0.021762  -0.000656  -0.000282   0.000242   0.013383   0.001253
    32  H    0.065597   0.005794  -0.001287  -0.012827  -0.019620  -0.002285
    33  H   -0.035955   0.030865  -0.231850   0.014390   0.000775  -0.009810
    34  H    0.010018  -0.010235   0.014667   0.110998   0.003088   0.002195
    35  H    0.677926   0.955459  -3.909246   2.569830  -0.050677  -0.189467
    36  H   -0.221460  -0.349864   2.548751  -3.748818  -0.047595   0.111062
    37  H    0.448420  -0.103374   0.474344  -0.137744  -0.581364  -2.698643
    38  H   -0.573170   0.119457  -0.002604  -0.002313  -0.025470   2.034018
    39  H    0.015679  -0.012975  -0.017979  -0.002585   0.702123  -0.377152
    40  H    0.056004   0.012493  -0.002007   0.000278  -0.197031   0.015280
    41  Br  -0.065095   0.005534  -0.003402   0.001469  -0.214839  -0.009881
    42  H   -0.158444  -0.053697  -0.035439   0.046556   0.693461   0.029285
              25         26         27         28         29         30
     1  H    0.047083   0.148888  -0.005697  -0.033890  -0.111794   0.008603
     2  C    0.071836   0.364110  -0.358235  -0.058233   0.675343  -0.219903
     3  C    0.267771  -0.465151   0.338816  -0.352364   0.013019  -0.145232
     4  H    0.024183   0.009508   0.017211  -0.009630   0.029611   0.015073
     5  C    0.144690   0.334446  -0.263412   0.332957  -0.239967   0.267924
     6  H    0.001725   0.002747  -0.002469  -0.006450   0.000013   0.003313
     7  C   -0.042513  -0.233286   0.089848  -0.174745   0.172220  -0.508331
     8  H    0.000053  -0.000616   0.002125  -0.003807  -0.002437   0.019132
     9  C   -0.174042  -0.195812  -0.135464   0.336340  -0.164821   0.600134
    10  C   -0.077251  -0.050363   0.016277   0.066993  -0.000454  -0.062040
    11  C   -0.239631  -0.126925  -0.095462   0.339270  -0.127601  -0.114310
    12  C    0.126911   1.131758   0.382128  -0.260499  -0.352428  -1.849212
    13  C    0.091954  -0.025495   0.021260  -0.036360  -0.364745  -0.786089
    14  C    0.072508   0.103101  -0.029749  -0.038513  -0.091611  -0.273832
    15  C   -0.116381  -2.133912  -1.545021   0.715315   0.713151   2.948889
    16  C    0.072009  -0.466267   0.034676  -0.015463   0.431889  -0.100365
    17  C   -0.270557   0.203720  -0.006413  -0.025559  -0.087734  -0.272517
    18  C   -0.087432  -0.095064  -0.018312   0.003890   0.017642   0.157338
    19  C    4.722302  -1.332259  -0.324060  -0.805221  -0.675684  -5.044819
    20  C   -1.624247   1.735352  -0.453020  -0.044691  -0.184830  -0.329180
    21  C    1.182701  -0.919374   0.764552  -0.356596   0.139120  -1.302052
    22  C   -2.290948   0.761181  -0.155549   0.039338   0.025183   0.835022
    23  C   -4.598494  -7.269626  -7.024017  -2.675266  -1.205429  -8.668541
    24  C   -8.800061  -1.563103   3.409623  -1.671344   0.803592  -0.212710
    25  C   26.789490  -3.253872  -4.350658  -0.044109  -0.275256  -0.633812
    26  C   -3.253872  34.849610  -9.550242   2.719208  -7.331389  -3.079847
    27  C   -4.350658  -9.550242  41.644245 -13.496147   5.458066  -6.770879
    28  C   -0.044109   2.719208 -13.496147  26.816410  -5.700844   0.890064
    29  C   -0.275256  -7.331389   5.458066  -5.700844  20.622129  -5.507660
    30  C   -0.633812  -3.079847  -6.770879   0.890064  -5.507660  35.828632
    31  H   -0.001271   0.003696   0.000893  -0.005334  -0.012933   0.002299
    32  H    0.002014  -0.002983  -0.000435   0.000686   0.010066  -0.010444
    33  H   -0.000531  -0.003785   0.000105  -0.000238  -0.000206   0.014393
    34  H   -0.001069   0.001098   0.000030  -0.000081   0.000049  -0.007148
    35  H   -0.294969  -0.009675  -0.007985  -0.004653   0.003476   0.029517
    36  H    0.007441   0.012583  -0.001424   0.001463  -0.003229   0.008972
    37  H    1.633929   0.114506  -0.011259   0.002330  -0.000356   0.018893
    38  H   -3.029286  -0.369991   1.068857  -0.035685   0.103633  -0.138638
    39  H    0.058056   2.673782  -4.850553   1.592949  -1.063136   0.287160
    40  H    0.111459  -0.652849   1.258011  -2.896887   1.185149   0.477869
    41  Br  -0.022214   0.132160  -0.147093   0.427784  -0.589949   0.407253
    42  H   -0.068283  -0.638407   0.045130   0.232645   0.710975  -2.478560
              31         32         33         34         35         36
     1  H   -0.003964   0.004133  -0.004787   0.001954  -0.002310  -0.001912
     2  C   -0.129727   0.010109   0.002639   0.028526  -0.011522   0.023878
     3  C    0.081978  -0.005930  -0.006510   0.007155  -0.000380  -0.000894
     4  H    0.003970  -0.000773  -0.000069   0.000022   0.000130  -0.000031
     5  C   -0.037531   0.006247   0.001428  -0.004633   0.000781   0.000069
     6  H   -0.006469   0.001126   0.000057  -0.000069   0.000017   0.000000
     7  C    0.700757  -0.000365   0.001827  -0.017828  -0.000450   0.000100
     8  H   -0.163869   0.000461  -0.000023  -0.000646  -0.000011  -0.000015
     9  C   -0.210631   0.148069   0.016748  -0.000496  -0.000079  -0.005488
    10  C   -3.157090   1.787948   0.004869  -0.334751  -0.001101   0.000301
    11  C    0.021575  -0.615521  -0.045055  -0.013051   0.012765  -0.005538
    12  C   -0.556690   0.551483  -0.269209   0.674110   0.012520  -0.079046
    13  C    0.163198  -0.072321  -0.233135   0.552285  -0.015626   0.031759
    14  C    2.215484  -2.877642   0.073486  -0.118265   0.002779  -0.009234
    15  C    0.088225  -0.022265   0.304251  -0.327561  -0.333216   0.407308
    16  C    0.005080   0.056429   0.572388  -0.382837  -0.494458   0.927039
    17  C    0.012345  -0.212758  -3.473148   2.582068   0.149132  -0.141830
    18  C    0.025378   0.412962   2.480714  -3.640415   0.020332  -0.281029
    19  C   -0.021762   0.065597  -0.035955   0.010018   0.677926  -0.221460
    20  C   -0.000656   0.005794   0.030865  -0.010235   0.955459  -0.349864
    21  C   -0.000282  -0.001287  -0.231850   0.014667  -3.909246   2.548751
    22  C    0.000242  -0.012827   0.014390   0.110998   2.569830  -3.748818
    23  C    0.013383  -0.019620   0.000775   0.003088  -0.050677  -0.047595
    24  C    0.001253  -0.002285  -0.009810   0.002195  -0.189467   0.111062
    25  C   -0.001271   0.002014  -0.000531  -0.001069  -0.294969   0.007441
    26  C    0.003696  -0.002983  -0.003785   0.001098  -0.009675   0.012583
    27  C    0.000893  -0.000435   0.000105   0.000030  -0.007985  -0.001424
    28  C   -0.005334   0.000686  -0.000238  -0.000081  -0.004653   0.001463
    29  C   -0.012933   0.010066  -0.000206   0.000049   0.003476  -0.003229
    30  C    0.002299  -0.010444   0.014393  -0.007148   0.029517   0.008972
    31  H    3.095678  -0.215160   0.001297  -0.000785   0.000020   0.000009
    32  H   -0.215160   3.110417  -0.004869  -0.197739  -0.000068  -0.000033
    33  H    0.001297  -0.004869   3.107420  -0.186935  -0.000506  -0.200138
    34  H   -0.000785  -0.197739  -0.186935   3.192807   0.001173   0.000556
    35  H    0.000020  -0.000068  -0.000506   0.001173   3.215784  -0.187878
    36  H    0.000009  -0.000033  -0.200138   0.000556  -0.187878   3.134702
    37  H    0.000005  -0.000012  -0.000466  -0.000054  -0.198872  -0.002642
    38  H    0.000012   0.000012   0.000032   0.000026   0.002901   0.000764
    39  H   -0.000053   0.000012   0.000003  -0.000022  -0.001131   0.000032
    40  H    0.000140  -0.000033  -0.000018   0.000023   0.000014   0.000023
    41  Br   0.001164  -0.001575  -0.000067   0.000329  -0.000067   0.000031
    42  H    0.004149   0.002413  -0.001421  -0.001111   0.001346  -0.005445
              37         38         39         40         41         42
     1  H   -0.002515   0.009103   0.003466   0.001601   0.003085  -0.030183
     2  C   -0.006564   0.001057   0.011441   0.007294   0.044963   0.045154
     3  C    0.012603  -0.012736  -0.004436   0.000255  -0.048010  -0.039814
     4  H   -0.000745   0.001424  -0.002408   0.000476  -0.002906   0.008457
     5  C   -0.001130  -0.001716  -0.000310  -0.007360   0.015688  -0.020820
     6  H   -0.000037  -0.000061  -0.000024   0.000352   0.000934  -0.000218
     7  C    0.000512   0.000249   0.001683   0.001261  -0.036746  -0.000279
     8  H    0.000017  -0.000024   0.000109  -0.000057  -0.000253   0.006394
     9  C   -0.002649   0.002710  -0.000419   0.000419   0.051296   0.170630
    10  C    0.001794  -0.001481   0.000777   0.000051   0.050133   0.022232
    11  C   -0.021725   0.017103   0.016913  -0.046729  -0.131738  -0.365902
    12  C    0.061461  -0.017442  -0.008989   0.013668   0.072681   0.092352
    13  C    0.006482  -0.001694   0.000965   0.001494   0.035724  -0.011323
    14  C   -0.002485   0.001666  -0.000801  -0.000452  -0.026610  -0.132866
    15  C    0.013423   0.052962   0.029957  -0.007669   0.032778  -0.186196
    16  C    0.026114   0.010731   0.001112  -0.002449  -0.005766   0.098023
    17  C   -0.017343  -0.000049   0.000695  -0.000943  -0.001542   0.007545
    18  C   -0.002241   0.000094  -0.000637   0.001238   0.016651  -0.003126
    19  C    0.448420  -0.573170   0.015679   0.056004  -0.065095  -0.158444
    20  C   -0.103374   0.119457  -0.012975   0.012493   0.005534  -0.053697
    21  C    0.474344  -0.002604  -0.017979  -0.002007  -0.003402  -0.035439
    22  C   -0.137744  -0.002313  -0.002585   0.000278   0.001469   0.046556
    23  C   -0.581364  -0.025470   0.702123  -0.197031  -0.214839   0.693461
    24  C   -2.698643   2.034018  -0.377152   0.015280  -0.009881   0.029285
    25  C    1.633929  -3.029286   0.058056   0.111459  -0.022214  -0.068283
    26  C    0.114506  -0.369991   2.673782  -0.652849   0.132160  -0.638407
    27  C   -0.011259   1.068857  -4.850553   1.258011  -0.147093   0.045130
    28  C    0.002330  -0.035685   1.592949  -2.896887   0.427784   0.232645
    29  C   -0.000356   0.103633  -1.063136   1.185149  -0.589949   0.710975
    30  C    0.018893  -0.138638   0.287160   0.477869   0.407253  -2.478560
    31  H    0.000005   0.000012  -0.000053   0.000140   0.001164   0.004149
    32  H   -0.000012   0.000012   0.000012  -0.000033  -0.001575   0.002413
    33  H   -0.000466   0.000032   0.000003  -0.000018  -0.000067  -0.001421
    34  H   -0.000054   0.000026  -0.000022   0.000023   0.000329  -0.001111
    35  H   -0.198872   0.002901  -0.001131   0.000014  -0.000067   0.001346
    36  H   -0.002642   0.000764   0.000032   0.000023   0.000031  -0.005445
    37  H    3.089488  -0.224608   0.000657   0.000619  -0.000010   0.003321
    38  H   -0.224608   3.091983  -0.173321  -0.005917  -0.000581  -0.001588
    39  H    0.000657  -0.173321   3.303635  -0.229842   0.008147   0.000055
    40  H    0.000619  -0.005917  -0.229842   2.739307  -0.052744   0.001405
    41  Br  -0.000010  -0.000581   0.008147  -0.052744  35.091193  -0.086395
    42  H    0.003321  -0.001588   0.000055   0.001405  -0.086395   4.115240
 Mulliken charges:
               1
     1  H   -0.980735
     2  C    1.190112
     3  C   -0.272838
     4  H   -0.781759
     5  C    0.187214
     6  H   -0.704087
     7  C    1.121972
     8  H   -0.935021
     9  C    0.472122
    10  C    0.904512
    11  C    0.765897
    12  C    0.151234
    13  C    0.381845
    14  C    0.469890
    15  C   -0.089852
    16  C    0.348575
    17  C    0.680864
    18  C    0.770759
    19  C    0.234161
    20  C    0.253808
    21  C    0.894937
    22  C    0.804224
    23  C    0.360775
    24  C    0.516717
    25  C    0.868771
    26  C    0.468838
    27  C    1.051704
    28  C    0.234966
    29  C   -1.019834
    30  C    1.695638
    31  H   -0.918020
    32  H   -0.899035
    33  H   -0.918955
    34  H   -0.937444
    35  H   -0.941555
    36  H   -0.923299
    37  H   -0.892081
    38  H   -0.900420
    39  H   -0.962636
    40  H   -0.783197
    41  Br   0.048483
    42  H   -1.017252
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     2  C    0.209378
     3  C   -1.054597
     5  C   -0.516873
     7  C    0.186951
     9  C    0.472122
    10  C   -0.013508
    11  C    0.765897
    12  C    0.151234
    13  C    0.381845
    14  C   -0.429144
    15  C   -0.089852
    16  C    0.348575
    17  C   -0.238091
    18  C   -0.166685
    19  C    0.234161
    20  C    0.253808
    21  C   -0.046618
    22  C   -0.119075
    23  C    0.360775
    24  C   -0.375364
    25  C   -0.031648
    26  C    0.468838
    27  C    0.089068
    28  C   -0.548231
    29  C   -1.019834
    30  C    0.678386
    41  Br   0.048483
 Electronic spatial extent (au):  <R**2>=           9166.0379
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.5003    Y=              0.6142    Z=              0.8065  Tot=              1.8107
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -155.5482   YY=           -148.5460   ZZ=           -169.8888
   XY=             -2.3487   XZ=              8.3365   YZ=              9.0548
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.4461   YY=              9.4483   ZZ=            -11.8945
   XY=             -2.3487   XZ=              8.3365   YZ=              9.0548
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             57.2286  YYY=             19.1628  ZZZ=            -36.7225  XYY=             44.8393
  XXY=              7.6657  XXZ=            -18.6307  XZZ=             51.3024  YZZ=             -0.7112
  YYZ=            -17.2879  XYZ=            -17.8424
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5234.9942 YYYY=          -4487.8283 ZZZZ=          -1621.7466 XXXY=            -40.2399
 XXXZ=            -30.1160 YYYX=            -11.9038 YYYZ=            173.9138 ZZZX=           -114.7584
 ZZZY=             22.9191 XXYY=          -1590.4664 XXZZ=          -1195.2606 YYZZ=          -1116.2427
 XXYZ=             46.5058 YYXZ=            -10.7300 ZZXY=              8.6872
 N-N= 2.775596488446D+03 E-N=-1.402072094452D+04  KE= 3.564713481412D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Jul 19 23:36:47 2021, MaxMem=  5637144576 cpu:              12.6 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-5.57213074D-01 2.19256303D-01 3.03059924D-01
 Polarizability= 4.08146991D+02-1.87080107D+01 3.73842522D+02
                 4.12699117D+01 4.43260150D+01 2.21766771D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0004    0.0000      -23.2770  -23.2681       -9.2405   -9.2467
 2     23.2746   23.2681      -21.9143  -21.9195      -17.5665  -17.5607
 3      9.2421    9.2467      102.6665  102.6694       21.9136   21.9195
 4     21.9143   21.9195       -0.0001    0.0000        9.2436    9.2467
 5    -85.1022  -85.1086       -9.2439   -9.2467      -23.2793  -23.2681
 6    -21.9142  -21.9195       23.2781   23.2681       -0.0002    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       69.8043   69.8043      -27.7400  -27.7400
 2     65.7584   65.7585       -0.0000    0.0000      -27.7400  -27.7400
 3     65.7585   65.7585       69.8042   69.8043        0.0000    0.0000
 4     69.8042   69.8043      -65.7586  -65.7585      -52.6822  -52.6822
 5     27.7400   27.7400      308.0081  308.0081       65.7584   65.7585
 6   -255.3259 -255.3259      -27.7400  -27.7400      -69.8043  -69.8043
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3705    0.0000       93.3451   93.0724       37.3800   36.9867
 2    -91.2034  -93.0724       87.5587   87.6779       70.3415   70.2430
 3    -39.5958  -36.9867     -409.8302 -410.6775      -87.2805  -87.6779
 4    -87.6976  -87.6779       -0.6732    0.0000      -36.6994  -36.9867
 5    341.0739  340.4345       38.3723   36.9867       93.0411   93.0724
 6     88.2905   87.6779      -93.1684  -93.0724        0.5429    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.9262    0.0000      288.6077  285.5650      153.3484  153.7966
 2   -291.6643 -285.5650      604.6899  603.9924      550.8332  553.1247
 3   -156.4798 -153.7966     -861.2169 -869.0617     -599.7588 -603.9924
 4   -607.2235 -603.9924       -0.9963    0.0000     -153.7098 -153.7966
 5    320.9584  315.9370      164.2767  153.7966      290.3060  285.5650
 6    610.9143  603.9924     -291.9205 -285.5650        0.2058    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1   -210.1125 -211.0020     -289.0394 -289.1740     -233.2535 -232.9918
 2   -427.5306 -423.5934     -103.4563 -106.7378     -233.2835 -232.9918
 3   -422.3487 -423.5934     -288.7406 -289.1740     -298.0551 -298.6484
 4   -181.7278 -182.4362      216.0346  212.5913      291.6642  292.5931
 5    -60.0736  -65.6566     -465.9233 -471.4468     -211.0188 -212.5913
 6    186.0450  178.8537       68.5949   65.6566      184.0736  182.4362
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0060   -0.0048    0.0025    2.3449    3.5803    4.6462
 Low frequencies ---   31.2184   49.5315   55.0044
 Diagonal vibrational polarizability:
        8.4768510       6.5698066      16.0660510
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     31.2174                49.5313                55.0043
 Red. masses --      8.8014                 6.2034                 6.2240
 Frc consts  --      0.0051                 0.0090                 0.0111
 IR Inten    --      0.0449                 0.1345                 0.0498
 RamAct Fr= 1--      6.6685                 9.7607                 7.4344
  Dep-P Fr= 1--      0.7008                 0.5384                 0.7166
  Dep-U Fr= 1--      0.8241                 0.6999                 0.8349
 Alpha2 Fr= 1--      0.0057                 0.0398                 0.0043
 Beta2  Fr= 1--      0.9159                 1.1386                 1.0345
 AlphaG Fr= 1--     -0.0845                -0.0345                 0.0296
 Gamma2 Fr= 1--     -5.7443                -4.9268                -6.5620
 Delta2 Fr= 1--     -2.3787                -0.5021                -3.4310
 Raman1 Fr= 1--      26.674                 39.043                 29.738
 ROA1   Fr= 1--    -627.568               -489.045               -739.744
 CID1   Fr= 1--     -23.527                -12.526                -24.876
 Raman2 Fr= 1--      10.991                 13.664                 12.414
 ROA2   Fr= 1--    -118.833               -114.227               -130.040
 CID2   Fr= 1--     -10.812                 -8.360                -10.475
 Raman3 Fr= 1--      21.982                 27.327                 24.829
 ROA3   Fr= 1--    -627.568               -489.045               -739.744
 CID3   Fr= 1--     -28.549                -17.896                -29.794
 RC180  Fr= 1--       0.648                  0.400                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.05  -0.00  -0.03    -0.12   0.01   0.05     0.09   0.05  -0.08
     2   6     0.07   0.02  -0.09    -0.07   0.06   0.03     0.07   0.02  -0.08
     3   6     0.14   0.06  -0.17    -0.04   0.13   0.00     0.12   0.05  -0.14
     4   1     0.18   0.06  -0.18    -0.08   0.13   0.01     0.18   0.10  -0.19
     5   6     0.18   0.10  -0.26     0.03   0.21  -0.04     0.08   0.02  -0.13
     6   1     0.24   0.13  -0.33     0.06   0.27  -0.07     0.12   0.04  -0.18
     7   6     0.14   0.10  -0.25     0.07   0.20  -0.04    -0.01  -0.05  -0.04
     8   1     0.16   0.12  -0.31     0.13   0.25  -0.06    -0.04  -0.08  -0.02
     9   6     0.07   0.06  -0.16     0.05   0.12  -0.00    -0.06  -0.07   0.02
    10   6     0.03   0.05  -0.14     0.08   0.11   0.00    -0.15  -0.13   0.12
    11   6     0.03   0.03  -0.08    -0.01   0.07   0.02    -0.01  -0.03  -0.02
    12   6    -0.02   0.01  -0.02    -0.01   0.02   0.01    -0.04  -0.04   0.01
    13   6    -0.04   0.01  -0.00     0.03   0.01   0.02    -0.11  -0.07   0.10
    14   6    -0.02   0.02  -0.06     0.07   0.05   0.02    -0.17  -0.13   0.17
    15   6    -0.04   0.01   0.01    -0.01   0.00  -0.02    -0.01  -0.02  -0.04
    16   6    -0.05  -0.01   0.06     0.00   0.00  -0.06    -0.02   0.00  -0.04
    17   6    -0.07  -0.02   0.10     0.03  -0.01  -0.05    -0.07  -0.02   0.03
    18   6    -0.07  -0.01   0.07     0.04  -0.01  -0.01    -0.11  -0.07   0.11
    19   6    -0.04   0.01  -0.03    -0.01  -0.01  -0.01     0.00  -0.01  -0.05
    20   6    -0.04   0.02  -0.03    -0.00   0.00  -0.03     0.01  -0.00  -0.08
    21   6    -0.04   0.00   0.03     0.00   0.01  -0.09     0.01   0.03  -0.12
    22   6    -0.05  -0.01   0.07     0.01   0.02  -0.11     0.01   0.02  -0.11
    23   6    -0.04   0.02  -0.04    -0.01  -0.03   0.03     0.01  -0.02  -0.00
    24   6    -0.04   0.03  -0.06     0.02  -0.02   0.04     0.00  -0.02  -0.03
    25   6    -0.04   0.03  -0.08     0.03  -0.07   0.14    -0.00  -0.04   0.05
    26   6    -0.04   0.02  -0.06     0.02  -0.08   0.13     0.00  -0.04   0.07
    27   6    -0.03   0.01  -0.03     0.05  -0.14   0.22     0.01  -0.04   0.14
    28   6    -0.02  -0.02   0.03     0.03  -0.14   0.18     0.02  -0.02   0.13
    29   6    -0.02  -0.02   0.04    -0.01  -0.08   0.05     0.03   0.01   0.04
    30   6    -0.03   0.01  -0.01    -0.03  -0.03  -0.02     0.03   0.01  -0.01
    31   1     0.05   0.07  -0.20     0.12   0.14  -0.01    -0.19  -0.17   0.17
    32   1    -0.04   0.02  -0.04     0.11   0.03   0.03    -0.24  -0.16   0.25
    33   1    -0.09  -0.03   0.15     0.04  -0.03  -0.08    -0.07   0.00   0.03
    34   1    -0.09  -0.02   0.09     0.06  -0.02   0.00    -0.15  -0.09   0.18
    35   1    -0.04   0.01   0.03     0.00   0.02  -0.12     0.02   0.04  -0.16
    36   1    -0.06  -0.02   0.11     0.02   0.03  -0.15     0.01   0.03  -0.13
    37   1    -0.04   0.03  -0.07     0.03  -0.01   0.04    -0.00  -0.01  -0.05
    38   1    -0.04   0.04  -0.10     0.04  -0.10   0.21    -0.00  -0.05   0.10
    39   1    -0.03   0.01  -0.04     0.08  -0.18   0.31    -0.00  -0.06   0.21
    40   1    -0.01  -0.03   0.08     0.04  -0.18   0.24     0.02  -0.02   0.18
    41  35     0.01  -0.09   0.18    -0.06  -0.06  -0.06     0.06   0.10  -0.02
    42   1    -0.03   0.01  -0.01    -0.07   0.02  -0.11     0.03   0.02  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     85.2523                94.2722               105.8558
 Red. masses --      5.5643                 6.4684                 4.5085
 Frc consts  --      0.0238                 0.0339                 0.0298
 IR Inten    --      0.0303                 0.6045                 0.7770
 RamAct Fr= 1--      2.5013                 9.0063                 0.4893
  Dep-P Fr= 1--      0.7399                 0.7317                 0.7406
  Dep-U Fr= 1--      0.8505                 0.8451                 0.8510
 Alpha2 Fr= 1--      0.0004                 0.0028                 0.0001
 Beta2  Fr= 1--      0.3546                 1.2685                 0.0694
 AlphaG Fr= 1--     -0.0131                -0.0115                 0.0010
 Gamma2 Fr= 1--    -13.0671                 5.7910                -0.0263
 Delta2 Fr= 1--     -3.6770                 2.1995                -0.1605
 Raman1 Fr= 1--      10.005                 36.025                  1.957
 ROA1   Fr= 1--   -1372.102                626.319                 -7.663
 CID1   Fr= 1--    -137.138                 17.386                 -3.915
 Raman2 Fr= 1--       4.255                 15.222                  0.833
 ROA2   Fr= 1--    -284.194                121.388                  0.652
 CID2   Fr= 1--     -66.795                  7.975                  0.783
 Raman3 Fr= 1--       8.509                 30.444                  1.666
 ROA3   Fr= 1--   -1372.102                626.319                 -7.663
 CID3   Fr= 1--    -161.244                 20.573                 -4.601
 RC180  Fr= 1--       0.701                  0.690                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.14  -0.10   0.09    -0.16   0.05  -0.11     0.20   0.18  -0.21
     2   6    -0.10  -0.07   0.07    -0.13   0.07  -0.08     0.13   0.10  -0.13
     3   6    -0.14  -0.10   0.11    -0.15   0.13  -0.05     0.06   0.04  -0.05
     4   1    -0.20  -0.16   0.18    -0.19   0.14  -0.06     0.08   0.07  -0.09
     5   6    -0.09  -0.04   0.05    -0.12   0.15  -0.00    -0.05  -0.09   0.10
     6   1    -0.11  -0.07   0.09    -0.13   0.19   0.02    -0.12  -0.16   0.19
     7   6     0.01   0.03  -0.05    -0.07   0.11   0.02    -0.08  -0.10   0.12
     8   1     0.05   0.08  -0.10    -0.05   0.13   0.07    -0.16  -0.18   0.22
     9   6     0.03   0.05  -0.07    -0.05   0.06  -0.00     0.01  -0.02   0.02
    10   6     0.07   0.09  -0.15    -0.04   0.03   0.03     0.01  -0.02   0.03
    11   6    -0.03  -0.00  -0.00    -0.06   0.04  -0.06     0.08   0.06  -0.08
    12   6    -0.03  -0.00   0.01    -0.03   0.00  -0.09     0.08   0.05  -0.09
    13   6    -0.03  -0.00   0.02    -0.04  -0.02  -0.05     0.06   0.04  -0.05
    14   6     0.04   0.05  -0.09    -0.03  -0.01   0.01     0.04   0.02  -0.03
    15   6    -0.04  -0.01   0.03    -0.02  -0.01  -0.09     0.03   0.03  -0.06
    16   6    -0.06  -0.03   0.11    -0.05  -0.02   0.00     0.00  -0.02   0.05
    17   6    -0.10  -0.06   0.21    -0.05  -0.02   0.01     0.00  -0.03   0.08
    18   6    -0.09  -0.05   0.14    -0.05  -0.02  -0.02     0.03   0.00   0.01
    19   6    -0.00  -0.01  -0.03     0.01  -0.03  -0.07    -0.01   0.04  -0.10
    20   6     0.01   0.02  -0.10     0.01  -0.06   0.09    -0.02   0.02  -0.05
    21   6    -0.00   0.03  -0.06    -0.01  -0.06   0.21    -0.03  -0.03   0.06
    22   6    -0.05  -0.01   0.07    -0.05  -0.03   0.15    -0.03  -0.05   0.12
    23   6     0.02  -0.04  -0.00     0.01  -0.03  -0.11    -0.02   0.06  -0.11
    24   6     0.02   0.04  -0.18     0.03  -0.09   0.19    -0.02   0.03  -0.06
    25   6     0.02   0.01  -0.12     0.04  -0.10   0.11    -0.02   0.02  -0.03
    26   6     0.02  -0.04  -0.01     0.02  -0.06  -0.04    -0.01   0.02  -0.01
    27   6     0.03  -0.06   0.07     0.01  -0.04  -0.05     0.01  -0.05   0.14
    28   6     0.04  -0.06   0.10     0.01  -0.02  -0.07     0.02  -0.07   0.17
    29   6     0.04  -0.04   0.05     0.03  -0.02  -0.09    -0.01   0.01   0.01
    30   6     0.03  -0.04   0.02     0.02  -0.02  -0.14    -0.03   0.07  -0.13
    31   1     0.13   0.14  -0.23    -0.04   0.03   0.07    -0.03  -0.06   0.08
    32   1     0.06   0.07  -0.12    -0.01  -0.04   0.05     0.03   0.02  -0.03
    33   1    -0.14  -0.09   0.30    -0.07  -0.03   0.05    -0.02  -0.07   0.16
    34   1    -0.12  -0.06   0.18    -0.07  -0.02  -0.01     0.03  -0.01   0.04
    35   1     0.02   0.06  -0.11    -0.01  -0.09   0.34    -0.05  -0.05   0.11
    36   1    -0.06  -0.02   0.13    -0.08  -0.02   0.23    -0.05  -0.10   0.22
    37   1     0.02   0.07  -0.26     0.05  -0.12   0.33    -0.02   0.03  -0.06
    38   1     0.03   0.02  -0.16     0.06  -0.13   0.18    -0.03   0.01   0.00
    39   1     0.02  -0.06   0.09     0.01  -0.06  -0.01     0.04  -0.09   0.24
    40   1     0.04  -0.07   0.14     0.01  -0.02  -0.06     0.04  -0.13   0.30
    41  35     0.07   0.05  -0.04     0.12   0.01   0.02    -0.03  -0.01   0.00
    42   1     0.04  -0.04   0.00     0.03  -0.01  -0.15    -0.06   0.12  -0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    132.9327               171.6393               193.4434
 Red. masses --      4.7831                 5.7294                 4.7327
 Frc consts  --      0.0498                 0.0994                 0.1043
 IR Inten    --      0.4082                 0.8018                 0.7538
 RamAct Fr= 1--      0.3269                 4.2585                 3.7848
  Dep-P Fr= 1--      0.7466                 0.6988                 0.6603
  Dep-U Fr= 1--      0.8549                 0.8227                 0.7954
 Alpha2 Fr= 1--      0.0000                 0.0038                 0.0061
 Beta2  Fr= 1--      0.0466                 0.5839                 0.5018
 AlphaG Fr= 1--     -0.0034                 0.0334                -0.0763
 Gamma2 Fr= 1--     -1.3384                 1.7029                 0.8065
 Delta2 Fr= 1--     -0.5710                -0.2363                -1.1111
 Raman1 Fr= 1--       1.308                 17.034                 15.139
 ROA1   Fr= 1--    -146.760                155.916                 41.865
 CID1   Fr= 1--    -112.237                  9.153                  2.765
 Raman2 Fr= 1--       0.559                  7.007                  6.021
 ROA2   Fr= 1--     -27.554                 42.760                 28.244
 CID2   Fr= 1--     -49.297                  6.102                  4.691
 Raman3 Fr= 1--       1.118                 14.014                 12.042
 ROA3   Fr= 1--    -146.760                155.916                 41.865
 CID3   Fr= 1--    -131.282                 11.126                  3.477
 RC180  Fr= 1--       0.710                  0.645                  0.591
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.06   0.03  -0.05     0.21   0.15   0.04     0.06  -0.02   0.14
     2   6     0.04   0.01  -0.03     0.13   0.08   0.05     0.05  -0.03   0.09
     3   6    -0.03  -0.06   0.05     0.18   0.05  -0.02    -0.00  -0.16   0.17
     4   1    -0.07  -0.11   0.10     0.31   0.12  -0.10    -0.06  -0.28   0.29
     5   6    -0.05  -0.09   0.08     0.07  -0.06   0.03     0.04  -0.10   0.05
     6   1    -0.11  -0.16   0.16     0.09  -0.11   0.01     0.02  -0.17   0.08
     7   6     0.01  -0.02   0.00    -0.05  -0.09   0.09     0.11   0.04  -0.11
     8   1    -0.01  -0.04   0.01    -0.13  -0.15   0.09     0.14   0.07  -0.22
     9   6     0.06   0.04  -0.06    -0.05   0.00   0.08     0.08   0.08  -0.06
    10   6     0.06   0.04  -0.07     0.01   0.09  -0.04    -0.00   0.02   0.03
    11   6     0.06   0.04  -0.06    -0.02   0.03   0.11     0.06   0.06   0.01
    12   6     0.03   0.02  -0.04    -0.06   0.03   0.12     0.00   0.05   0.04
    13   6    -0.01  -0.02   0.06     0.01   0.08   0.01    -0.03   0.01   0.11
    14   6     0.02   0.00   0.01     0.06   0.14  -0.12    -0.08  -0.03   0.17
    15   6     0.02   0.01  -0.06    -0.10  -0.00   0.11    -0.01   0.03  -0.02
    16   6     0.02   0.01  -0.04    -0.08   0.00   0.05     0.01   0.04  -0.08
    17   6    -0.04  -0.05   0.13    -0.03   0.02  -0.00     0.04   0.07  -0.14
    18   6    -0.07  -0.08   0.19     0.03   0.08  -0.04     0.02   0.03   0.00
    19   6     0.01   0.02  -0.05    -0.08  -0.02   0.04    -0.04   0.03  -0.03
    20   6     0.01   0.01  -0.03    -0.07   0.01  -0.02    -0.05   0.01   0.04
    21   6     0.03   0.04  -0.16    -0.06   0.05  -0.11    -0.05  -0.02   0.09
    22   6     0.04   0.04  -0.17    -0.06   0.03  -0.07    -0.02   0.02  -0.02
    23   6     0.00   0.04  -0.04    -0.06  -0.08  -0.02    -0.05   0.02  -0.11
    24   6     0.01  -0.04   0.15    -0.03  -0.02   0.03    -0.04   0.01   0.01
    25   6     0.01  -0.05   0.20    -0.02  -0.09   0.07    -0.03   0.01  -0.06
    26   6     0.00   0.01   0.04    -0.05  -0.09   0.01    -0.04   0.00  -0.08
    27   6    -0.01   0.05  -0.04    -0.05  -0.10  -0.03    -0.02  -0.06   0.01
    28   6    -0.02   0.08  -0.12    -0.07  -0.09  -0.08    -0.03  -0.09   0.06
    29   6    -0.02   0.07  -0.10    -0.07  -0.09  -0.08    -0.05  -0.04  -0.06
    30   6    -0.01   0.07  -0.09    -0.08  -0.09  -0.07    -0.07   0.02  -0.17
    31   1     0.08   0.06  -0.11     0.04   0.12  -0.11    -0.02   0.01   0.04
    32   1    -0.01  -0.01   0.04     0.14   0.21  -0.26    -0.16  -0.08   0.28
    33   1    -0.07  -0.08   0.21    -0.01  -0.00  -0.05     0.08   0.09  -0.25
    34   1    -0.12  -0.14   0.32     0.10   0.10  -0.12     0.05   0.02   0.01
    35   1     0.03   0.06  -0.22    -0.04   0.08  -0.20    -0.07  -0.06   0.18
    36   1     0.06   0.06  -0.23    -0.04   0.05  -0.16    -0.01   0.01  -0.03
    37   1     0.00  -0.08   0.25    -0.01   0.01   0.04    -0.03   0.01   0.05
    38   1     0.00  -0.10   0.33     0.02  -0.11   0.12    -0.01   0.01  -0.07
    39   1    -0.01   0.04  -0.02    -0.03  -0.11  -0.02     0.01  -0.09   0.08
    40   1    -0.03   0.10  -0.17    -0.08  -0.09  -0.10    -0.01  -0.15   0.17
    41  35    -0.02  -0.02   0.03     0.09   0.01   0.00     0.03   0.01   0.00
    42   1    -0.01   0.07  -0.09    -0.09  -0.09  -0.06    -0.11   0.05  -0.23
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.5002               261.4071               272.6638
 Red. masses --      4.9411                 6.1723                 5.5048
 Frc consts  --      0.1533                 0.2485                 0.2411
 IR Inten    --      0.0428                 1.6672                 0.5831
 RamAct Fr= 1--      0.7801                 1.1572                 7.4443
  Dep-P Fr= 1--      0.6712                 0.2375                 0.1356
  Dep-U Fr= 1--      0.8032                 0.3839                 0.2388
 Alpha2 Fr= 1--      0.0011                 0.0142                 0.1193
 Beta2  Fr= 1--      0.1044                 0.0740                 0.2962
 AlphaG Fr= 1--     -0.0380                 0.1113                -0.3362
 Gamma2 Fr= 1--      0.9365                -0.2468                 8.1044
 Delta2 Fr= 1--     -0.3326                -1.0186                 0.5610
 Raman1 Fr= 1--       3.120                  4.629                 29.777
 ROA1   Fr= 1--      79.259                -56.285                795.976
 CID1   Fr= 1--      25.400                -12.160                 26.731
 Raman2 Fr= 1--       1.253                  0.888                  3.555
 ROA2   Fr= 1--      25.137                  2.226                190.018
 CID2   Fr= 1--      20.058                  2.506                 53.456
 Raman3 Fr= 1--       2.506                  1.777                  7.109
 ROA3   Fr= 1--      79.259                -56.285                795.976
 CID3   Fr= 1--      31.622                -31.675                111.962
 RC180  Fr= 1--       0.606                 -0.232                 -0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.11   0.13  -0.11     0.14   0.14  -0.04    -0.09  -0.11   0.18
     2   6     0.07   0.09  -0.08     0.09   0.09  -0.05    -0.08  -0.09   0.14
     3   6     0.05   0.07  -0.06     0.02  -0.03   0.04     0.01  -0.05   0.04
     4   1     0.09   0.11  -0.11    -0.00  -0.09   0.10     0.05  -0.05   0.04
     5   6    -0.05  -0.03   0.06    -0.02  -0.07   0.05     0.09   0.04  -0.09
     6   1    -0.11  -0.10   0.13    -0.08  -0.17   0.12     0.21   0.14  -0.24
     7   6    -0.06  -0.03   0.05     0.01   0.03  -0.06    -0.00  -0.02  -0.01
     8   1    -0.11  -0.08   0.11    -0.02   0.00  -0.08     0.03   0.01  -0.08
     9   6     0.01   0.05  -0.03     0.03   0.11  -0.08    -0.08  -0.08   0.10
    10   6     0.06   0.09  -0.11    -0.05   0.04   0.04    -0.05  -0.05   0.06
    11   6     0.01   0.04  -0.03     0.05   0.12  -0.08    -0.07  -0.05   0.10
    12   6    -0.03  -0.00   0.01     0.02   0.08  -0.06     0.02   0.03  -0.00
    13   6    -0.06  -0.04   0.08    -0.00   0.06  -0.01     0.06   0.06  -0.07
    14   6     0.02   0.03  -0.02    -0.07   0.01   0.09     0.04   0.05  -0.08
    15   6    -0.00  -0.01  -0.04    -0.03   0.04  -0.05     0.03   0.04  -0.04
    16   6     0.03   0.03  -0.15    -0.06  -0.02   0.01     0.01   0.00   0.00
    17   6    -0.01   0.01  -0.06    -0.02  -0.01  -0.03    -0.02  -0.04   0.12
    18   6    -0.08  -0.07   0.13     0.02   0.04  -0.05     0.02   0.01   0.02
    19   6     0.00  -0.02   0.06    -0.04   0.02  -0.04    -0.00   0.06  -0.07
    20   6    -0.01  -0.06   0.16    -0.07  -0.00  -0.11    -0.05   0.00   0.01
    21   6    -0.01  -0.05   0.11    -0.08  -0.03  -0.03    -0.04  -0.01  -0.04
    22   6     0.03   0.04  -0.14    -0.10  -0.08   0.08     0.00  -0.01  -0.07
    23   6    -0.00  -0.01   0.03     0.01  -0.01   0.13    -0.02   0.12  -0.10
    24   6    -0.03  -0.04   0.11    -0.10  -0.02  -0.04    -0.10  -0.03   0.16
    25   6    -0.03   0.05  -0.14    -0.10  -0.04   0.10    -0.10   0.06   0.01
    26   6    -0.02   0.04  -0.11    -0.05  -0.01   0.13    -0.07   0.14  -0.12
    27   6    -0.01   0.02  -0.08    -0.06   0.06   0.01    -0.04   0.09  -0.02
    28   6     0.02  -0.05   0.12    -0.01   0.12  -0.04     0.02   0.02   0.16
    29   6     0.04  -0.08   0.17     0.09   0.02   0.12     0.06   0.03   0.08
    30   6     0.03  -0.06   0.14     0.10  -0.02   0.25     0.03   0.10  -0.02
    31   1     0.13   0.15  -0.20    -0.10  -0.01   0.13    -0.07  -0.06   0.09
    32   1     0.05   0.04  -0.06    -0.14  -0.05   0.21     0.06   0.09  -0.16
    33   1    -0.01   0.02  -0.08    -0.01  -0.03  -0.04    -0.06  -0.09   0.25
    34   1    -0.12  -0.12   0.24     0.07   0.04  -0.07     0.01  -0.01   0.07
    35   1    -0.02  -0.07   0.18    -0.09  -0.04  -0.00    -0.06  -0.03  -0.06
    36   1     0.05   0.09  -0.24    -0.12  -0.14   0.19     0.02  -0.03  -0.12
    37   1    -0.03  -0.07   0.18    -0.11  -0.02  -0.06    -0.12  -0.12   0.35
    38   1    -0.03   0.09  -0.27    -0.14  -0.05   0.16    -0.14   0.04   0.09
    39   1    -0.03   0.05  -0.16    -0.10   0.10  -0.08    -0.03   0.08  -0.00
    40   1     0.03  -0.07   0.17    -0.07   0.27  -0.18     0.02   0.00   0.33
    41  35     0.01   0.00  -0.03     0.07  -0.08  -0.06     0.06  -0.06  -0.05
    42   1     0.04  -0.07   0.16     0.14  -0.05   0.30     0.01   0.10  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    278.7402               289.9738               320.8722
 Red. masses --      5.1786                 6.6874                 4.5038
 Frc consts  --      0.2371                 0.3313                 0.2732
 IR Inten    --      0.6724                 1.4681                 0.5168
 RamAct Fr= 1--      5.1299                 3.6596                 2.9908
  Dep-P Fr= 1--      0.1992                 0.5063                 0.3090
  Dep-U Fr= 1--      0.3322                 0.6722                 0.4722
 Alpha2 Fr= 1--      0.0698                 0.0175                 0.0299
 Beta2  Fr= 1--      0.2840                 0.4100                 0.2354
 AlphaG Fr= 1--     -0.2314                -0.0548                -0.0269
 Gamma2 Fr= 1--      2.5394                 0.9718                 3.6639
 Delta2 Fr= 1--     -2.1771                 0.0870                 0.6798
 Raman1 Fr= 1--      20.519                 14.638                 11.963
 ROA1   Fr= 1--     174.111                 96.077                373.485
 CID1   Fr= 1--       8.485                  6.563                 31.219
 Raman2 Fr= 1--       3.408                  4.920                  2.824
 ROA2   Fr= 1--      78.362                 22.627                 82.495
 CID2   Fr= 1--      22.992                  4.599                 29.208
 Raman3 Fr= 1--       6.817                  9.840                  5.649
 ROA3   Fr= 1--     174.111                 96.077                373.485
 CID3   Fr= 1--      25.542                  9.764                 66.119
 RC180  Fr= 1--      -0.336                  0.344                 -0.056
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04   0.05   0.15    -0.10  -0.09  -0.13     0.02   0.04  -0.13
     2   6    -0.00   0.01   0.12    -0.05  -0.03  -0.09     0.02   0.03  -0.08
     3   6     0.10   0.01   0.01    -0.06   0.06  -0.08    -0.03   0.04  -0.03
     4   1     0.21   0.06  -0.04    -0.09   0.10  -0.12    -0.05   0.05  -0.04
     5   6     0.04  -0.04  -0.01    -0.07   0.04   0.00    -0.08  -0.02   0.06
     6   1     0.09  -0.05  -0.07    -0.11   0.07   0.05    -0.15  -0.07   0.15
     7   6    -0.06  -0.04   0.02    -0.01  -0.01   0.04     0.02   0.02  -0.01
     8   1    -0.09  -0.06  -0.04    -0.00  -0.01   0.14     0.04   0.03   0.03
     9   6    -0.08   0.02   0.06     0.04  -0.06  -0.03     0.06   0.01  -0.06
    10   6     0.02   0.12  -0.10     0.06  -0.04  -0.06     0.03   0.01  -0.06
    11   6    -0.10  -0.00   0.14     0.02  -0.07  -0.05     0.02  -0.03  -0.01
    12   6    -0.10  -0.03   0.12    -0.01  -0.06   0.03    -0.07  -0.09   0.11
    13   6    -0.11  -0.04   0.12    -0.02  -0.07   0.05    -0.07  -0.07   0.07
    14   6    -0.01   0.05  -0.04     0.02  -0.05  -0.00    -0.04  -0.05   0.05
    15   6     0.00  -0.02  -0.06     0.01  -0.02   0.13    -0.05  -0.06   0.18
    16   6     0.00  -0.02  -0.11     0.05   0.02   0.02    -0.06  -0.05   0.20
    17   6    -0.02  -0.00  -0.12     0.05   0.04  -0.03     0.01   0.03  -0.04
    18   6    -0.06  -0.05   0.03    -0.02  -0.04   0.05     0.02   0.05  -0.13
    19   6     0.05  -0.02  -0.11    -0.02   0.01   0.20     0.02  -0.05   0.02
    20   6     0.04  -0.05  -0.09    -0.05   0.02   0.13     0.03  -0.03  -0.03
    21   6     0.01  -0.10   0.10    -0.03   0.00   0.03     0.03   0.04  -0.13
    22   6    -0.02  -0.06   0.05     0.04   0.02  -0.06    -0.03  -0.01   0.03
    23   6     0.06   0.02  -0.05    -0.04   0.08   0.11     0.02   0.02  -0.09
    24   6     0.01  -0.04  -0.10    -0.09   0.11  -0.09     0.01  -0.07   0.08
    25   6    -0.00  -0.04   0.02    -0.11   0.14  -0.02    -0.00  -0.02   0.02
    26   6     0.04  -0.00   0.05    -0.06   0.07   0.16    -0.01   0.05  -0.13
    27   6     0.03   0.04   0.11    -0.04   0.01   0.16    -0.01   0.07  -0.05
    28   6     0.06   0.15  -0.02    -0.07   0.05  -0.03     0.06   0.04   0.13
    29   6     0.08   0.16  -0.08    -0.04   0.10  -0.18     0.08   0.07   0.05
    30   6     0.09   0.10  -0.07    -0.08   0.14  -0.09     0.06   0.07  -0.06
    31   1     0.14   0.24  -0.27     0.08  -0.02  -0.13     0.05   0.04  -0.12
    32   1     0.08   0.11  -0.16     0.02  -0.04  -0.02    -0.04  -0.06   0.07
    33   1     0.01   0.04  -0.19     0.07   0.10  -0.11     0.07   0.13  -0.24
    34   1    -0.02  -0.06   0.03    -0.07  -0.03   0.05     0.09   0.17  -0.38
    35   1     0.00  -0.14   0.28    -0.04  -0.00  -0.05     0.09   0.13  -0.30
    36   1    -0.05  -0.09   0.18     0.08   0.03  -0.18    -0.01   0.03  -0.06
    37   1    -0.00  -0.05  -0.14    -0.12   0.14  -0.32    -0.01  -0.13   0.22
    38   1    -0.04  -0.04   0.06    -0.14   0.20  -0.18    -0.02  -0.05   0.13
    39   1    -0.01   0.01   0.22     0.03  -0.04   0.26    -0.06   0.07  -0.02
    40   1     0.05   0.19  -0.01    -0.07   0.08   0.00     0.08   0.02   0.28
    41  35    -0.02  -0.02   0.00     0.10  -0.08  -0.03    -0.01  -0.01  -0.01
    42   1     0.15   0.07  -0.04    -0.15   0.16  -0.10     0.11   0.06  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    337.5360               381.6756               415.6942
 Red. masses --      4.7187                 5.2936                 6.4502
 Frc consts  --      0.3167                 0.4544                 0.6567
 IR Inten    --      0.1115                 1.5314                 0.7206
 RamAct Fr= 1--      7.3065                 2.6533                48.8659
  Dep-P Fr= 1--      0.4015                 0.5007                 0.0658
  Dep-U Fr= 1--      0.5729                 0.6673                 0.1234
 Alpha2 Fr= 1--      0.0538                 0.0131                 0.9295
 Beta2  Fr= 1--      0.6977                 0.2951                 1.0054
 AlphaG Fr= 1--      0.0706                -0.0369                -2.1697
 Gamma2 Fr= 1--      2.4504                 0.9618                21.6005
 Delta2 Fr= 1--     -1.1796                -1.4146                 6.6115
 Raman1 Fr= 1--      29.226                 10.613                195.463
 ROA1   Fr= 1--     197.492                 47.064               2285.216
 CID1   Fr= 1--       6.757                  4.434                 11.691
 Raman2 Fr= 1--       8.372                  3.541                 12.065
 ROA2   Fr= 1--      68.246                 34.400                465.520
 CID2   Fr= 1--       8.151                  9.715                 38.585
 Raman3 Fr= 1--      16.745                  7.082                 24.129
 ROA3   Fr= 1--     197.492                 47.064               2285.216
 CID3   Fr= 1--      11.794                  6.646                 94.707
 RC180  Fr= 1--       0.146                  0.335                 -0.753
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.09   0.12   0.07    -0.05  -0.16  -0.07    -0.10   0.02   0.04
     2   6     0.05   0.09   0.02     0.02  -0.11  -0.03    -0.06   0.05   0.04
     3   6     0.01  -0.03   0.07    -0.02   0.01   0.02    -0.03   0.06  -0.01
     4   1     0.00  -0.10   0.14    -0.13   0.04   0.01     0.04   0.04  -0.00
     5   6     0.01  -0.03  -0.00     0.07   0.09   0.07    -0.09   0.01  -0.08
     6   1     0.01  -0.09  -0.01     0.07   0.19   0.08    -0.08  -0.03  -0.09
     7   6    -0.01   0.05  -0.07     0.13   0.01   0.13    -0.10  -0.02  -0.05
     8   1    -0.03   0.04  -0.14     0.18   0.04   0.21    -0.11  -0.03  -0.00
     9   6    -0.06   0.09  -0.01     0.14  -0.10   0.06    -0.06   0.02  -0.07
    10   6    -0.12   0.02   0.10     0.04  -0.07   0.02    -0.09   0.04  -0.10
    11   6     0.00   0.12  -0.02     0.11  -0.09  -0.04     0.02   0.04   0.04
    12   6     0.01   0.04  -0.04     0.04  -0.01  -0.03     0.10   0.05   0.04
    13   6     0.03   0.08  -0.12    -0.01   0.03  -0.03    -0.00   0.09   0.05
    14   6    -0.03   0.05  -0.04     0.04   0.04  -0.03    -0.13   0.03  -0.00
    15   6    -0.05  -0.04   0.04    -0.01  -0.01  -0.01     0.20   0.03   0.05
    16   6    -0.05  -0.05   0.03    -0.05   0.14  -0.02     0.23   0.06   0.08
    17   6    -0.07  -0.06   0.09    -0.07   0.16  -0.00     0.11   0.15   0.09
    18   6    -0.00   0.02  -0.05    -0.09   0.12   0.05     0.03   0.12   0.06
    19   6     0.03  -0.10   0.13    -0.00  -0.05  -0.08     0.13  -0.03   0.01
    20   6     0.03  -0.13   0.17    -0.00  -0.04  -0.02     0.08  -0.09  -0.05
    21   6     0.04  -0.06  -0.00    -0.03   0.09   0.08     0.12  -0.07  -0.01
    22   6     0.01   0.01  -0.13    -0.06   0.15  -0.03     0.19  -0.06   0.02
    23   6     0.04  -0.08   0.04     0.01  -0.11  -0.08     0.05  -0.05  -0.03
    24   6     0.01  -0.08  -0.01    -0.04  -0.06  -0.04    -0.09  -0.09  -0.07
    25   6     0.01  -0.03  -0.16    -0.04  -0.11  -0.05    -0.12  -0.09   0.02
    26   6     0.02  -0.06   0.00    -0.07  -0.13  -0.04    -0.10  -0.06  -0.00
    27   6     0.01  -0.01   0.08    -0.12  -0.03   0.06    -0.14  -0.02  -0.02
    28   6     0.05   0.08   0.02    -0.04   0.11   0.01    -0.13  -0.03   0.03
    29   6     0.05   0.13  -0.10     0.06   0.08   0.00    -0.02  -0.06   0.01
    30   6     0.07   0.05  -0.07     0.10  -0.05   0.01     0.01  -0.08  -0.05
    31   1    -0.19  -0.05   0.27    -0.03  -0.14  -0.03    -0.09   0.04  -0.14
    32   1    -0.03   0.01   0.01     0.06   0.06  -0.07    -0.24   0.04   0.02
    33   1    -0.11  -0.12   0.19    -0.07   0.16  -0.01     0.08   0.27   0.13
    34   1     0.03   0.00  -0.03    -0.19   0.11   0.10    -0.00   0.13   0.06
    35   1     0.09   0.02  -0.12     0.03   0.13   0.20     0.12  -0.07  -0.01
    36   1     0.05   0.12  -0.33    -0.05   0.17  -0.07     0.22  -0.17   0.00
    37   1     0.01  -0.05  -0.13    -0.04  -0.06  -0.05    -0.15  -0.16  -0.14
    38   1    -0.01   0.05  -0.38     0.01  -0.12  -0.07    -0.13  -0.10   0.06
    39   1    -0.05  -0.03   0.17    -0.24  -0.04   0.15    -0.16  -0.00  -0.06
    40   1     0.05   0.10   0.08    -0.08   0.22   0.04    -0.15   0.02   0.04
    41  35    -0.02  -0.01   0.01    -0.01  -0.01  -0.00    -0.01  -0.00  -0.00
    42   1     0.15   0.04  -0.08     0.24  -0.10   0.05    -0.01  -0.06  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    429.2723               437.9534               443.7107
 Red. masses --      3.9897                 3.6532                 5.3199
 Frc consts  --      0.4332                 0.4128                 0.6171
 IR Inten    --      0.4676                 2.8741                 1.6001
 RamAct Fr= 1--      7.2518                 1.9403                 2.2282
  Dep-P Fr= 1--      0.4558                 0.7422                 0.6331
  Dep-U Fr= 1--      0.6262                 0.8520                 0.7753
 Alpha2 Fr= 1--      0.0434                 0.0003                 0.0047
 Beta2  Fr= 1--      0.7569                 0.2755                 0.2879
 AlphaG Fr= 1--      0.0450                 0.0302                -0.0372
 Gamma2 Fr= 1--      0.1722                -0.5760                -2.8578
 Delta2 Fr= 1--     -0.6384                -0.6572                -2.2160
 Raman1 Fr= 1--      29.007                  7.761                  8.913
 ROA1   Fr= 1--      -3.896                -76.325               -345.257
 CID1   Fr= 1--      -0.134                 -9.834                -38.737
 Raman2 Fr= 1--       9.083                  3.306                  3.455
 ROA2   Fr= 1--       9.240                 -8.566                -50.858
 CID2   Fr= 1--       1.017                 -2.591                -14.719
 Raman3 Fr= 1--      18.165                  6.613                  6.910
 ROA3   Fr= 1--      -3.896                -76.325               -345.257
 CID3   Fr= 1--      -0.214                -11.542                -49.962
 RC180  Fr= 1--       0.252                  0.704                  0.551
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.24  -0.21   0.22     0.14   0.20  -0.22    -0.06  -0.08  -0.12
     2   6    -0.14  -0.10   0.10     0.04   0.09  -0.09    -0.00  -0.02  -0.06
     3   6     0.03   0.02  -0.11    -0.05  -0.02   0.00    -0.08   0.01   0.01
     4   1     0.13   0.06  -0.16    -0.03  -0.03   0.01    -0.15  -0.01   0.04
     5   6    -0.01  -0.02  -0.10    -0.09  -0.05  -0.01    -0.03   0.06  -0.02
     6   1    -0.01  -0.02  -0.10    -0.10  -0.07   0.00    -0.03   0.12  -0.03
     7   6    -0.13  -0.13   0.05     0.02   0.05  -0.13     0.03  -0.00   0.01
     8   1    -0.28  -0.27   0.20     0.13   0.16  -0.25     0.09   0.04   0.08
     9   6     0.02   0.06  -0.09    -0.07  -0.05   0.01     0.04  -0.10  -0.00
    10   6     0.10   0.04  -0.06     0.00  -0.07   0.02    -0.07  -0.08  -0.03
    11   6    -0.01   0.04  -0.03    -0.06  -0.04   0.06     0.09  -0.04  -0.03
    12   6     0.04   0.08  -0.05    -0.03  -0.02   0.09     0.03   0.07   0.08
    13   6     0.09   0.03   0.05     0.05  -0.02   0.05    -0.02   0.12   0.08
    14   6    -0.01  -0.06   0.15     0.04  -0.02  -0.04    -0.06   0.12  -0.05
    15   6    -0.04   0.05  -0.01     0.01   0.02   0.03     0.01   0.05   0.11
    16   6    -0.05   0.02   0.05     0.03   0.01   0.02     0.04   0.01   0.01
    17   6     0.08  -0.01   0.03     0.07  -0.01   0.05     0.03   0.06  -0.02
    18   6     0.13   0.03   0.03     0.08   0.01   0.02     0.00   0.06   0.09
    19   6    -0.04   0.03  -0.01    -0.01   0.05  -0.10    -0.03   0.05   0.03
    20   6    -0.06   0.02   0.04    -0.02   0.04  -0.00    -0.16  -0.07  -0.03
    21   6    -0.07   0.03  -0.03    -0.02   0.01   0.03    -0.20  -0.14  -0.01
    22   6    -0.07   0.02  -0.01     0.03   0.02  -0.03    -0.08  -0.13  -0.09
    23   6    -0.00  -0.05  -0.02    -0.02   0.02  -0.11     0.03   0.05   0.03
    24   6    -0.00  -0.01   0.06    -0.01   0.02   0.07    -0.02  -0.11  -0.03
    25   6     0.03  -0.03  -0.08     0.00   0.03  -0.06     0.01  -0.10  -0.02
    26   6     0.01  -0.05  -0.05    -0.02   0.01  -0.08     0.14   0.03   0.01
    27   6     0.02  -0.04   0.06     0.01  -0.09   0.17     0.20   0.00  -0.03
    28   6     0.04   0.05  -0.02    -0.03   0.04  -0.09     0.16  -0.04  -0.05
    29   6     0.03   0.06  -0.05    -0.01   0.03  -0.08     0.04  -0.01  -0.01
    30   6     0.06  -0.02   0.03     0.04  -0.09   0.14     0.01   0.04   0.01
    31   1     0.13   0.06  -0.03     0.04  -0.02   0.01    -0.16  -0.15  -0.10
    32   1    -0.15  -0.13   0.31     0.04   0.04  -0.13    -0.14   0.21  -0.16
    33   1     0.11  -0.09  -0.02     0.08  -0.03   0.03     0.05   0.09  -0.07
    34   1     0.15   0.03   0.02     0.09   0.03  -0.03     0.05   0.03   0.13
    35   1    -0.06   0.06  -0.09    -0.05  -0.02   0.07    -0.24  -0.19   0.03
    36   1    -0.05   0.02  -0.07     0.04   0.01  -0.07    -0.03  -0.25  -0.18
    37   1     0.05   0.04   0.12    -0.00  -0.00   0.19     0.05  -0.03   0.02
    38   1     0.06  -0.02  -0.15     0.04   0.01  -0.03    -0.11  -0.08   0.01
    39   1    -0.03  -0.07   0.17     0.04  -0.19   0.43     0.25   0.00  -0.05
    40   1     0.03   0.06  -0.00    -0.03   0.06  -0.11     0.19  -0.12  -0.10
    41  35    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.01   0.02   0.01
    42   1     0.14  -0.06   0.08     0.12  -0.21   0.37    -0.01   0.05  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    446.3126               484.3024               495.1203
 Red. masses --      4.4477                 3.7316                 4.9061
 Frc consts  --      0.5220                 0.5157                 0.7086
 IR Inten    --      0.7696                 0.3737                 0.1571
 RamAct Fr= 1--      2.6945                 3.9759                 0.4891
  Dep-P Fr= 1--      0.2035                 0.6519                 0.5330
  Dep-U Fr= 1--      0.3382                 0.7893                 0.6954
 Alpha2 Fr= 1--      0.0363                 0.0070                 0.0021
 Beta2  Fr= 1--      0.1519                 0.5230                 0.0567
 AlphaG Fr= 1--     -0.0566                 0.0129                -0.0150
 Gamma2 Fr= 1--      2.5954                -0.4682                -0.2032
 Delta2 Fr= 1--     -0.1829                -2.8753                -0.0893
 Raman1 Fr= 1--      10.778                 15.904                  1.957
 ROA1   Fr= 1--     243.307               -136.955                -22.369
 CID1   Fr= 1--      22.575                 -8.612                -11.433
 Raman2 Fr= 1--       1.823                  6.276                  0.680
 ROA2   Fr= 1--      63.754                 11.766                 -4.163
 CID2   Fr= 1--      34.980                  1.875                 -6.120
 Raman3 Fr= 1--       3.645                 12.553                  1.361
 ROA3   Fr= 1--     243.307               -136.955                -22.369
 CID3   Fr= 1--      66.749                -10.910                -16.442
 RC180  Fr= 1--      -0.324                  0.579                  0.391
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.03   0.10  -0.07     0.01   0.02  -0.03    -0.10  -0.14  -0.01
     2   6    -0.01   0.07  -0.05    -0.02  -0.02   0.02    -0.01  -0.06  -0.00
     3   6    -0.06  -0.05  -0.01     0.05   0.06  -0.06    -0.02   0.03  -0.01
     4   1    -0.04  -0.11   0.04     0.13   0.15  -0.16    -0.07   0.03  -0.00
     5   6    -0.06  -0.04  -0.09    -0.06  -0.06   0.07    -0.00   0.05   0.01
     6   1    -0.04  -0.04  -0.13    -0.13  -0.12   0.16    -0.03   0.06   0.05
     7   6    -0.06  -0.01  -0.11     0.04   0.02  -0.04     0.03  -0.02   0.05
     8   1    -0.04   0.02  -0.18     0.06   0.04  -0.04     0.03  -0.04   0.18
     9   6    -0.10  -0.02   0.00     0.05   0.02  -0.05     0.09  -0.03  -0.04
    10   6     0.01  -0.08   0.07     0.04  -0.00  -0.03    -0.08  -0.01  -0.05
    11   6    -0.03   0.04  -0.02    -0.07  -0.08   0.09     0.08  -0.02  -0.03
    12   6    -0.01   0.02   0.04    -0.05  -0.04   0.07    -0.01   0.06   0.07
    13   6     0.11  -0.02   0.06     0.04   0.01  -0.06    -0.06   0.13   0.02
    14   6     0.11  -0.02  -0.06    -0.02  -0.06   0.07    -0.12   0.14   0.00
    15   6    -0.07  -0.00   0.10     0.00   0.00  -0.01    -0.04   0.01   0.07
    16   6    -0.03   0.04  -0.03    -0.01   0.04  -0.02     0.03  -0.16  -0.04
    17   6     0.12   0.00  -0.05    -0.04  -0.03   0.18    -0.06  -0.17  -0.03
    18   6     0.10  -0.04   0.16     0.06   0.08  -0.12     0.02  -0.07  -0.06
    19   6    -0.04  -0.01   0.06     0.00   0.02  -0.08    -0.06   0.06  -0.01
    20   6    -0.02   0.05  -0.00    -0.02  -0.03   0.02     0.02   0.14   0.05
    21   6    -0.04   0.04   0.08    -0.05  -0.04   0.15     0.07  -0.08   0.05
    22   6    -0.03   0.06  -0.01     0.01   0.07  -0.16     0.14  -0.08  -0.06
    23   6    -0.01  -0.07  -0.03     0.00   0.04  -0.04    -0.04  -0.05  -0.11
    24   6     0.03   0.07  -0.10    -0.00  -0.00  -0.10     0.05   0.20   0.01
    25   6     0.05  -0.09   0.09    -0.01  -0.03   0.06     0.09   0.03   0.06
    26   6    -0.01  -0.10   0.02     0.03  -0.00   0.09    -0.05  -0.08  -0.04
    27   6    -0.08   0.05  -0.12     0.03   0.04  -0.04    -0.09  -0.03   0.01
    28   6     0.02   0.06   0.09     0.01  -0.00  -0.01    -0.03   0.07   0.01
    29   6     0.06   0.03   0.11     0.02  -0.05   0.09     0.03   0.03   0.06
    30   6     0.04   0.04  -0.11    -0.02   0.03  -0.04     0.04  -0.03   0.00
    31   1     0.05  -0.05   0.17     0.03  -0.02  -0.00    -0.22  -0.12  -0.11
    32   1     0.11   0.04  -0.14    -0.09  -0.13   0.19    -0.22   0.16   0.01
    33   1     0.17  -0.07  -0.15    -0.10  -0.12   0.35    -0.07  -0.17   0.00
    34   1     0.07  -0.09   0.25     0.06   0.12  -0.20     0.20  -0.12  -0.05
    35   1    -0.04   0.03   0.14    -0.06  -0.08   0.30    -0.06  -0.20   0.04
    36   1    -0.03   0.09  -0.02     0.04   0.11  -0.30     0.14   0.00  -0.09
    37   1     0.07   0.15  -0.21    -0.00   0.04  -0.23     0.10   0.27  -0.02
    38   1     0.13  -0.13   0.15    -0.05  -0.01   0.05     0.28  -0.03   0.10
    39   1    -0.21   0.14  -0.28     0.03   0.09  -0.18    -0.18  -0.02   0.05
    40   1     0.00   0.12   0.11     0.00   0.02  -0.13    -0.06   0.15   0.01
    41  35    -0.00  -0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.01  -0.00
    42   1     0.09   0.09  -0.25    -0.06   0.07  -0.11     0.14  -0.06   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --    522.2632               527.7929               539.7651
 Red. masses --      3.8141                 4.3240                 3.5163
 Frc consts  --      0.6129                 0.7097                 0.6036
 IR Inten    --      7.5938                 8.3409                26.6497
 RamAct Fr= 1--      3.5520                 8.1625                 1.2712
  Dep-P Fr= 1--      0.1226                 0.0868                 0.5459
  Dep-U Fr= 1--      0.2185                 0.1597                 0.7063
 Alpha2 Fr= 1--      0.0588                 0.1476                 0.0050
 Beta2  Fr= 1--      0.1293                 0.2173                 0.1496
 AlphaG Fr= 1--     -0.2456                -0.0352                 0.0710
 Gamma2 Fr= 1--      0.6408                 2.7782                -1.7237
 Delta2 Fr= 1--      0.8507                 0.3457                -0.4068
 Raman1 Fr= 1--      14.208                 32.650                  5.085
 ROA1   Fr= 1--      88.737                277.768               -178.493
 CID1   Fr= 1--       6.246                  8.507                -35.104
 Raman2 Fr= 1--       1.552                  2.608                  1.796
 ROA2   Fr= 1--       8.573                 63.911                -38.114
 CID2   Fr= 1--       5.523                 24.509                -21.227
 Raman3 Fr= 1--       3.104                  5.215                  3.591
 ROA3   Fr= 1--      88.737                277.768               -178.493
 CID3   Fr= 1--      28.587                 53.261                -49.704
 RC180  Fr= 1--      -0.563                 -0.681                  0.413
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.17  -0.14   0.17    -0.02  -0.01  -0.15     0.08   0.07  -0.03
     2   6    -0.06  -0.03   0.01    -0.01  -0.01  -0.10     0.05   0.05  -0.04
     3   6    -0.02  -0.06  -0.05    -0.08  -0.06  -0.04    -0.06  -0.09   0.08
     4   1    -0.08  -0.15   0.05    -0.12  -0.09  -0.01    -0.14  -0.19   0.19
     5   6     0.04   0.00  -0.08    -0.02   0.01  -0.06     0.10   0.06  -0.08
     6   1     0.01   0.00  -0.03    -0.01   0.10  -0.08     0.21   0.17  -0.22
     7   6    -0.04  -0.07   0.04     0.03  -0.05  -0.01    -0.06  -0.03   0.06
     8   1    -0.20  -0.22   0.16     0.07  -0.02  -0.01    -0.06  -0.03   0.00
     9   6     0.05   0.10  -0.05     0.00  -0.08   0.04    -0.08  -0.02   0.10
    10   6    -0.02   0.03   0.12     0.03  -0.03   0.01     0.04   0.07  -0.03
    11   6     0.06   0.10  -0.11     0.03  -0.02  -0.02     0.03   0.06  -0.07
    12   6    -0.05  -0.03   0.04    -0.04   0.08   0.09     0.02  -0.02  -0.07
    13   6    -0.00  -0.01  -0.01     0.01   0.10   0.18    -0.08  -0.10   0.06
    14   6     0.08   0.06  -0.03     0.01   0.12   0.06     0.00  -0.05   0.03
    15   6    -0.06  -0.05   0.14    -0.05   0.02  -0.10     0.04   0.01  -0.02
    16   6    -0.04  -0.01   0.04    -0.12  -0.03  -0.01     0.02  -0.03   0.14
    17   6    -0.01   0.01  -0.03    -0.03  -0.08   0.01     0.01   0.02   0.04
    18   6    -0.02  -0.02   0.03     0.13   0.07   0.01    -0.03  -0.01  -0.08
    19   6     0.05  -0.04  -0.04     0.06  -0.03  -0.12    -0.01   0.05  -0.07
    20   6     0.08  -0.06  -0.06     0.12  -0.07   0.00    -0.05   0.00   0.11
    21   6     0.06  -0.05   0.11     0.13   0.01  -0.01    -0.05  -0.01   0.02
    22   6     0.01   0.05  -0.08    -0.06   0.04   0.01     0.04  -0.00  -0.06
    23   6    -0.00   0.10  -0.10     0.05  -0.01   0.09    -0.02   0.03  -0.09
    24   6     0.00  -0.04  -0.10     0.02  -0.08   0.06    -0.02   0.04  -0.01
    25   6    -0.04   0.04   0.10    -0.03   0.08  -0.08     0.01  -0.01  -0.01
    26   6    -0.01   0.12  -0.05    -0.00   0.01   0.13     0.02  -0.04   0.08
    27   6     0.04  -0.00   0.05    -0.03   0.03   0.00     0.01  -0.02   0.03
    28   6    -0.03  -0.04  -0.05    -0.07  -0.02   0.00     0.00   0.03  -0.07
    29   6    -0.02  -0.05   0.00    -0.03  -0.04   0.02     0.04  -0.06   0.14
    30   6    -0.02  -0.02   0.08    -0.04   0.02  -0.05     0.01   0.00  -0.03
    31   1    -0.10  -0.05   0.31     0.04  -0.02  -0.15     0.18   0.20  -0.19
    32   1     0.13   0.03  -0.01    -0.03   0.24  -0.10     0.13  -0.01  -0.07
    33   1     0.03   0.03  -0.13     0.02  -0.21  -0.07     0.04   0.15  -0.08
    34   1    -0.01  -0.00  -0.01     0.33   0.08  -0.10    -0.01   0.10  -0.30
    35   1     0.11  -0.02   0.21     0.22   0.09   0.03    -0.06  -0.00  -0.13
    36   1     0.02   0.16  -0.19    -0.10   0.18   0.06     0.10   0.02  -0.28
    37   1    -0.08  -0.14  -0.08    -0.06  -0.16   0.02     0.02   0.12  -0.14
    38   1    -0.13  -0.01   0.30    -0.10   0.17  -0.29     0.02   0.02  -0.14
    39   1     0.15  -0.06   0.16    -0.00   0.09  -0.17    -0.01   0.02  -0.07
    40   1    -0.02  -0.07  -0.07    -0.08   0.01  -0.10    -0.03   0.13  -0.28
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    42   1    -0.05  -0.07   0.21    -0.14   0.09  -0.18     0.01   0.04  -0.11
                     28                     29                     30
                      A                      A                      A
 Frequencies --    544.7328               575.3028               588.1071
 Red. masses --      6.1560                 3.3634                 3.9451
 Frc consts  --      1.0763                 0.6559                 0.8039
 IR Inten    --      1.4138                 0.2650                10.1792
 RamAct Fr= 1--      9.0387                 3.4895                 3.2622
  Dep-P Fr= 1--      0.1945                 0.1273                 0.2917
  Dep-U Fr= 1--      0.3256                 0.2258                 0.4517
 Alpha2 Fr= 1--      0.1246                 0.0571                 0.0343
 Beta2  Fr= 1--      0.4905                 0.1313                 0.2456
 AlphaG Fr= 1--     -0.1404                -1.0329                -0.3396
 Gamma2 Fr= 1--      1.1150                 0.8057                 2.3719
 Delta2 Fr= 1--      0.3336                 1.1799                 0.9114
 Raman1 Fr= 1--      36.155                 13.958                 13.049
 ROA1   Fr= 1--     117.717                115.103                256.870
 CID1   Fr= 1--       3.256                  8.246                 19.685
 Raman2 Fr= 1--       5.886                  1.576                  2.947
 ROA2   Fr= 1--      24.092                  9.898                 49.634
 CID2   Fr= 1--       4.093                  6.281                 16.842
 Raman3 Fr= 1--      11.773                  3.152                  5.894
 ROA3   Fr= 1--     117.717                115.103                256.870
 CID3   Fr= 1--       9.999                 36.523                 43.580
 RC180  Fr= 1--      -0.349                 -0.548                 -0.097
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.00  -0.06   0.13     0.15   0.13  -0.17    -0.07  -0.07   0.07
     2   6     0.12   0.04   0.16     0.05   0.03  -0.07     0.03   0.03  -0.03
     3   6     0.06   0.17   0.25    -0.05  -0.06   0.05    -0.03  -0.04   0.03
     4   1     0.03   0.09   0.33    -0.08  -0.05   0.04    -0.15  -0.18   0.18
     5   6    -0.01   0.14  -0.01     0.03   0.04  -0.03     0.04   0.04  -0.07
     6   1     0.08  -0.03  -0.12     0.14   0.16  -0.16     0.03   0.02  -0.06
     7   6    -0.16   0.08   0.03    -0.02  -0.02   0.04    -0.05  -0.03   0.04
     8   1    -0.13   0.08   0.22     0.08   0.08  -0.08    -0.16  -0.13   0.15
     9   6    -0.03  -0.08  -0.16    -0.07  -0.08   0.09     0.01   0.04  -0.03
    10   6    -0.05  -0.20  -0.19     0.07   0.05  -0.10    -0.00  -0.00   0.03
    11   6     0.14   0.07   0.00    -0.02  -0.03   0.01     0.06   0.07  -0.08
    12   6     0.07  -0.01   0.03     0.04   0.06  -0.08    -0.08  -0.07   0.11
    13   6     0.07  -0.04   0.03     0.02   0.05   0.00    -0.05  -0.08   0.06
    14   6    -0.09  -0.20  -0.14    -0.06  -0.02   0.12     0.03  -0.03  -0.03
    15   6    -0.05  -0.07  -0.01    -0.03   0.00  -0.02     0.03  -0.00  -0.01
    16   6    -0.10  -0.02  -0.01    -0.05  -0.00  -0.04     0.08   0.04  -0.06
    17   6    -0.01  -0.04  -0.02    -0.03  -0.04   0.03    -0.01  -0.01   0.14
    18   6     0.08   0.02   0.04     0.05   0.04  -0.03     0.02   0.03  -0.11
    19   6    -0.01  -0.05  -0.06     0.01  -0.04   0.12    -0.03   0.03  -0.04
    20   6     0.04  -0.03  -0.02     0.03  -0.03   0.01    -0.04   0.08  -0.14
    21   6     0.02   0.03   0.04     0.03  -0.02   0.04    -0.06  -0.00   0.05
    22   6    -0.06   0.07  -0.02    -0.03   0.03  -0.03     0.05   0.02  -0.06
    23   6    -0.03   0.03  -0.01    -0.00   0.01   0.00     0.01  -0.08   0.18
    24   6     0.04  -0.02  -0.01     0.00   0.01  -0.13     0.01   0.02   0.05
    25   6     0.01   0.05   0.00    -0.01  -0.03   0.13     0.03  -0.01  -0.04
    26   6    -0.00   0.04   0.02    -0.02   0.06  -0.12    -0.00  -0.04  -0.01
    27   6     0.01   0.01   0.02     0.00   0.01  -0.06    -0.03   0.02  -0.07
    28   6    -0.02   0.00  -0.02     0.02  -0.04   0.05     0.01  -0.02   0.10
    29   6    -0.02  -0.01   0.03    -0.02   0.05  -0.13    -0.04   0.09  -0.15
    30   6    -0.03   0.02   0.03     0.01  -0.02   0.08    -0.00  -0.01   0.04
    31   1    -0.05  -0.20  -0.15     0.16   0.14  -0.30     0.03   0.02   0.05
    32   1    -0.26  -0.15  -0.15    -0.11  -0.01   0.13     0.13   0.00  -0.11
    33   1     0.03  -0.16  -0.09    -0.05  -0.14   0.10    -0.05   0.01   0.23
    34   1     0.12   0.02   0.01     0.08   0.01   0.01     0.03   0.13  -0.30
    35   1     0.07   0.08   0.09     0.06   0.02   0.05    -0.16  -0.15   0.33
    36   1    -0.08   0.16  -0.04    -0.04   0.10  -0.05     0.04  -0.12   0.09
    37   1     0.01  -0.07   0.00    -0.02  -0.00  -0.18     0.05   0.01   0.24
    38   1    -0.02   0.06   0.01    -0.03  -0.10   0.34     0.08  -0.04  -0.01
    39   1     0.04   0.01   0.02     0.05  -0.07   0.13    -0.08   0.03  -0.08
    40   1    -0.02   0.00  -0.08     0.06  -0.16   0.32     0.04  -0.10   0.31
    41  35     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    42   1    -0.06   0.03   0.02     0.05  -0.11   0.26     0.00   0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --    612.1256               627.9108               641.7888
 Red. masses --      7.2577                 4.2248                 5.0546
 Frc consts  --      1.6022                 0.9814                 1.2267
 IR Inten    --      8.8726                 0.4857                17.7752
 RamAct Fr= 1--      4.1940                 0.7835                 1.1916
  Dep-P Fr= 1--      0.1674                 0.6192                 0.3263
  Dep-U Fr= 1--      0.2868                 0.7648                 0.4920
 Alpha2 Fr= 1--      0.0620                 0.0019                 0.0113
 Beta2  Fr= 1--      0.2005                 0.0999                 0.0977
 AlphaG Fr= 1--     -0.2066                -0.0054                -0.0101
 Gamma2 Fr= 1--      1.1053                 0.3969                -2.4191
 Delta2 Fr= 1--      0.0350                -0.1796                 0.0594
 Raman1 Fr= 1--      16.776                  3.134                  4.766
 ROA1   Fr= 1--     107.230                 32.354               -230.331
 CID1   Fr= 1--       6.392                 10.324                -48.323
 Raman2 Fr= 1--       2.405                  1.198                  1.173
 ROA2   Fr= 1--      26.248                 10.962                -58.533
 CID2   Fr= 1--      10.912                  9.147                -49.920
 Raman3 Fr= 1--       4.811                  2.397                  2.345
 ROA3   Fr= 1--     107.230                 32.354               -230.331
 CID3   Fr= 1--      22.289                 13.498                -98.219
 RC180  Fr= 1--      -0.426                  0.530                 -0.016
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.00   0.09  -0.05    -0.10  -0.12   0.08     0.05  -0.16   0.04
     2   6    -0.03   0.06  -0.01    -0.00  -0.03   0.00     0.04  -0.17   0.01
     3   6    -0.05  -0.03  -0.02     0.01   0.01  -0.01     0.10   0.03  -0.01
     4   1     0.02  -0.04  -0.01    -0.06  -0.06   0.07    -0.00   0.15  -0.12
     5   6    -0.02  -0.01  -0.05    -0.00   0.01  -0.01     0.04  -0.01   0.14
     6   1    -0.00   0.08  -0.07    -0.08  -0.08   0.08     0.04  -0.14   0.14
     7   6     0.03  -0.06   0.01    -0.01   0.01  -0.01    -0.05   0.15  -0.02
     8   1     0.07  -0.03  -0.03    -0.11  -0.09   0.13    -0.07   0.14  -0.08
     9   6     0.01  -0.00   0.05     0.04   0.03  -0.06    -0.06   0.01  -0.04
    10   6    -0.01   0.07  -0.02    -0.02  -0.07   0.06    -0.02  -0.06   0.03
    11   6     0.02   0.00   0.04     0.04   0.03  -0.04    -0.07  -0.03  -0.09
    12   6     0.08  -0.02  -0.00    -0.10  -0.02   0.10    -0.06   0.08  -0.11
    13   6     0.02   0.03  -0.04    -0.06  -0.04   0.13    -0.06  -0.03   0.07
    14   6    -0.03   0.02   0.03     0.05   0.02  -0.04     0.03   0.03  -0.04
    15   6     0.03  -0.08   0.02     0.06   0.02  -0.18    -0.00   0.12  -0.05
    16   6     0.04  -0.00  -0.02     0.04   0.06  -0.16    -0.04  -0.02   0.16
    17   6    -0.01   0.03  -0.00    -0.01  -0.01   0.09     0.09   0.00   0.01
    18   6    -0.01   0.05   0.02     0.06   0.05  -0.06     0.01  -0.07   0.03
    19   6    -0.09  -0.07  -0.00     0.02   0.00   0.15     0.06   0.10  -0.07
    20   6    -0.02  -0.07  -0.05    -0.02  -0.06   0.19     0.01  -0.01   0.06
    21   6    -0.07   0.01  -0.01    -0.02   0.04  -0.11    -0.00  -0.07   0.04
    22   6     0.02  -0.02  -0.00    -0.05  -0.02   0.10    -0.05  -0.03  -0.06
    23   6    -0.16   0.04  -0.03    -0.02   0.04  -0.12     0.09  -0.01   0.02
    24   6     0.28  -0.16  -0.03    -0.01  -0.00  -0.08     0.03   0.00  -0.04
    25   6     0.24  -0.07  -0.08     0.01  -0.08   0.07     0.05  -0.07   0.02
    26   6     0.09   0.01  -0.06     0.01   0.02  -0.08     0.06   0.01   0.01
    27   6    -0.02   0.21   0.13     0.02   0.03   0.03    -0.02   0.18  -0.01
    28   6    -0.15   0.15   0.05    -0.01   0.03  -0.02    -0.12   0.00   0.11
    29   6    -0.25   0.08   0.14    -0.01  -0.02   0.06    -0.10   0.04  -0.10
    30   6    -0.23   0.00   0.05    -0.00  -0.03  -0.00    -0.01  -0.14   0.02
    31   1    -0.01   0.07  -0.04    -0.02  -0.07   0.06    -0.00  -0.04   0.01
    32   1    -0.04  -0.03   0.10     0.12   0.13  -0.23     0.05   0.11  -0.16
    33   1    -0.03   0.03   0.05    -0.07  -0.10   0.27     0.18   0.14  -0.26
    34   1    -0.03   0.01   0.10     0.10   0.10  -0.17     0.05   0.02  -0.17
    35   1    -0.08  -0.01   0.02     0.03   0.12  -0.30     0.03  -0.01  -0.10
    36   1     0.04  -0.10   0.01    -0.08  -0.10   0.27     0.01   0.07  -0.32
    37   1     0.37  -0.10   0.08     0.03   0.11  -0.34     0.08   0.08  -0.12
    38   1     0.20  -0.07  -0.04    -0.00  -0.06   0.04     0.05  -0.06  -0.03
    39   1    -0.15   0.22   0.19     0.03  -0.03   0.17    -0.01   0.17   0.01
    40   1    -0.11   0.02  -0.06     0.00   0.00  -0.02    -0.07  -0.15   0.24
    41  35     0.04  -0.03  -0.02     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    42   1    -0.20   0.00   0.05     0.04  -0.08   0.10    -0.01  -0.17   0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --    651.3480               683.1437               693.2163
 Red. masses --      4.4954                 6.0088                 5.4330
 Frc consts  --      1.1237                 1.6522                 1.5382
 IR Inten    --      2.5437                 5.1313                 0.2156
 RamAct Fr= 1--      0.2957                48.3324                 4.6537
  Dep-P Fr= 1--      0.4970                 0.0597                 0.0647
  Dep-U Fr= 1--      0.6640                 0.1127                 0.1215
 Alpha2 Fr= 1--      0.0015                 0.9329                 0.0888
 Beta2  Fr= 1--      0.0327                 0.9075                 0.0942
 AlphaG Fr= 1--      0.0080                -1.3884                -0.1968
 Gamma2 Fr= 1--      0.5093                 8.3778                -0.2693
 Delta2 Fr= 1--     -0.2509                 0.0780                -0.8930
 Raman1 Fr= 1--       1.183                193.330                 18.615
 ROA1   Fr= 1--      40.867                806.766                -54.430
 CID1   Fr= 1--      34.551                  4.173                 -2.924
 Raman2 Fr= 1--       0.393                 10.890                  1.131
 ROA2   Fr= 1--      14.231                200.443                  0.680
 CID2   Fr= 1--      36.240                 18.407                  0.601
 Raman3 Fr= 1--       0.785                 21.779                  2.262
 ROA3   Fr= 1--      40.867                806.766                -54.430
 CID3   Fr= 1--      52.037                 37.043                -24.064
 RC180  Fr= 1--       0.328                 -0.775                 -0.757
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.15  -0.05  -0.09     0.06  -0.21  -0.01    -0.03   0.01   0.01
     2   6     0.11  -0.09  -0.10     0.05  -0.21  -0.05    -0.01   0.02  -0.02
     3   6    -0.00  -0.06   0.06     0.07  -0.02  -0.04    -0.02  -0.01  -0.02
     4   1    -0.18  -0.03   0.04    -0.10   0.13  -0.16    -0.07  -0.04   0.01
     5   6     0.10   0.07   0.03     0.06   0.00   0.14     0.04   0.02   0.02
     6   1     0.17   0.05  -0.06     0.09  -0.10   0.10    -0.00   0.08   0.09
     7   6    -0.11   0.07   0.07    -0.10   0.17  -0.01     0.08  -0.03   0.05
     8   1    -0.13   0.05   0.02    -0.13   0.15  -0.14     0.07  -0.05   0.08
     9   6    -0.05   0.02  -0.03    -0.11   0.03  -0.00     0.03   0.02   0.02
    10   6     0.05   0.02  -0.05    -0.05   0.02   0.03    -0.16   0.11  -0.05
    11   6    -0.08  -0.05  -0.07    -0.06  -0.04  -0.12     0.00  -0.00   0.01
    12   6    -0.14   0.01   0.05    -0.02   0.03  -0.07    -0.01  -0.04   0.02
    13   6     0.03   0.04  -0.11    -0.03   0.01   0.10    -0.02  -0.01  -0.04
    14   6    -0.02  -0.02   0.06    -0.02   0.07   0.01    -0.14   0.04  -0.06
    15   6    -0.07   0.06   0.16     0.01  -0.04  -0.03     0.03  -0.00   0.01
    16   6     0.04   0.07  -0.12     0.05   0.00   0.02     0.04   0.01   0.02
    17   6     0.07  -0.01   0.04     0.08   0.00   0.07     0.18  -0.15  -0.01
    18   6     0.03  -0.04  -0.03     0.08   0.02   0.02     0.09  -0.24  -0.04
    19   6     0.07   0.04   0.12    -0.09  -0.09   0.02    -0.01   0.02  -0.04
    20   6     0.03   0.03  -0.10     0.02  -0.04  -0.07    -0.04  -0.01   0.02
    21   6     0.03  -0.03  -0.04     0.03   0.03   0.03    -0.05   0.25   0.06
    22   6    -0.05  -0.02   0.01     0.10   0.04   0.00     0.07   0.20   0.09
    23   6     0.08  -0.01  -0.03    -0.19   0.03   0.05     0.00   0.01   0.00
    24   6    -0.02  -0.02   0.05     0.08  -0.09  -0.03    -0.09  -0.10  -0.03
    25   6    -0.02  -0.01  -0.07     0.03   0.02  -0.02    -0.10  -0.14  -0.03
    26   6     0.03   0.02  -0.02    -0.09  -0.04  -0.06     0.04  -0.00   0.02
    27   6     0.01   0.05   0.11    -0.04  -0.22  -0.04     0.07   0.06  -0.00
    28   6    -0.07   0.05  -0.05     0.12   0.01  -0.07     0.04  -0.00   0.01
    29   6     0.01  -0.07   0.11     0.03   0.03   0.07    -0.03   0.01  -0.02
    30   6     0.01  -0.06  -0.11    -0.08   0.24   0.08    -0.02  -0.02   0.01
    31   1     0.02  -0.01   0.01     0.02   0.09  -0.08    -0.23   0.05  -0.11
    32   1    -0.12  -0.09   0.21     0.02   0.17  -0.16    -0.15   0.02  -0.02
    33   1    -0.02  -0.11   0.30     0.11   0.02  -0.00     0.17  -0.21   0.04
    34   1    -0.09  -0.13   0.19     0.13   0.06  -0.07     0.13  -0.30   0.06
    35   1     0.02  -0.08   0.19     0.02   0.01   0.09     0.02   0.34  -0.00
    36   1    -0.11  -0.10   0.26     0.10  -0.00   0.04     0.07   0.24   0.03
    37   1    -0.03  -0.08   0.24     0.03  -0.19   0.10    -0.08  -0.07  -0.09
    38   1    -0.02  -0.04   0.03     0.01  -0.02   0.12    -0.21  -0.10  -0.07
    39   1     0.02   0.07   0.07    -0.12  -0.23   0.01     0.08   0.07  -0.02
    40   1    -0.09   0.09  -0.25     0.08   0.14  -0.07     0.07  -0.08   0.00
    41  35    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.03  -0.02  -0.20    -0.08   0.26   0.02    -0.02  -0.02   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --    707.6199               716.6099               756.0315
 Red. masses --      3.3499                 5.8104                 1.6197
 Frc consts  --      0.9883                 1.7580                 0.5455
 IR Inten    --      1.8000                 0.9941                12.9382
 RamAct Fr= 1--      0.8742                 3.8454                 4.9754
  Dep-P Fr= 1--      0.3631                 0.6683                 0.7301
  Dep-U Fr= 1--      0.5327                 0.8012                 0.8440
 Alpha2 Fr= 1--      0.0074                 0.0056                 0.0017
 Beta2  Fr= 1--      0.0776                 0.5135                 0.6999
 AlphaG Fr= 1--     -0.0491                -0.0058                -0.0432
 Gamma2 Fr= 1--     -3.4418                -2.6156               -10.2661
 Delta2 Fr= 1--      0.1274                 0.6137                -0.7832
 Raman1 Fr= 1--       3.497                 15.382                 19.902
 ROA1   Fr= 1--    -326.338               -231.460              -1010.610
 CID1   Fr= 1--     -93.321                -15.048                -50.780
 Raman2 Fr= 1--       0.931                  6.162                  8.399
 ROA2   Fr= 1--     -83.623                -67.685               -240.121
 CID2   Fr= 1--     -89.774                -10.985                -28.591
 Raman3 Fr= 1--       1.863                 12.323                 16.797
 ROA3   Fr= 1--    -326.338               -231.460              -1010.610
 CID3   Fr= 1--    -175.171                -18.783                -60.165
 RC180  Fr= 1--       0.065                  0.602                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.10  -0.03   0.11     0.10   0.00  -0.12     0.17   0.20  -0.17
     2   6    -0.06   0.01   0.07     0.07  -0.05   0.01    -0.01   0.01   0.01
     3   6     0.03   0.06  -0.04     0.01   0.03   0.08    -0.04  -0.03   0.05
     4   1     0.11   0.05  -0.04     0.08   0.08   0.02     0.19   0.21  -0.21
     5   6    -0.06  -0.05   0.03    -0.07   0.01  -0.07    -0.02  -0.00   0.00
     6   1    -0.08  -0.04   0.05     0.04  -0.10  -0.23     0.20   0.24  -0.27
     7   6     0.07  -0.00  -0.05    -0.16   0.03  -0.06    -0.02  -0.05   0.05
     8   1     0.11   0.04  -0.08    -0.12   0.07  -0.07     0.16   0.11  -0.13
     9   6    -0.03  -0.04   0.07    -0.02  -0.03  -0.08     0.06   0.03  -0.06
    10   6    -0.03  -0.02   0.03     0.19  -0.11   0.05     0.01   0.00  -0.02
    11   6     0.07   0.06  -0.03    -0.01  -0.05   0.01    -0.02  -0.01   0.03
    12   6     0.10   0.04  -0.11    -0.01   0.05   0.03    -0.03   0.00   0.01
    13   6    -0.05  -0.05   0.10    -0.00   0.08  -0.01    -0.02  -0.02   0.02
    14   6    -0.00  -0.02  -0.01     0.14   0.10   0.11     0.03   0.05  -0.05
    15   6     0.00   0.01  -0.00     0.00   0.01  -0.00     0.03   0.03  -0.07
    16   6    -0.03  -0.01  -0.00     0.03  -0.08   0.02    -0.00   0.01   0.03
    17   6    -0.05  -0.06   0.03    -0.19  -0.04  -0.09     0.03  -0.01   0.03
    18   6     0.01  -0.01  -0.05    -0.11  -0.00  -0.03    -0.01  -0.05   0.02
    19   6     0.02  -0.00   0.15    -0.06   0.04  -0.03     0.02   0.01   0.03
    20   6     0.01   0.05  -0.11    -0.03   0.04   0.00     0.00  -0.01  -0.00
    21   6    -0.00   0.01   0.05     0.07   0.09   0.04    -0.02  -0.01   0.01
    22   6     0.00   0.05  -0.05     0.24   0.06   0.08    -0.03   0.01  -0.02
    23   6     0.05  -0.05   0.08    -0.04  -0.01   0.02     0.01  -0.01   0.06
    24   6    -0.06   0.03  -0.02    -0.13  -0.04  -0.02     0.02   0.00  -0.03
    25   6    -0.04  -0.03  -0.05    -0.10  -0.18  -0.06     0.02   0.00  -0.00
    26   6     0.02   0.03  -0.11     0.06  -0.02  -0.02    -0.02   0.01  -0.05
    27   6     0.04   0.03   0.09     0.11   0.07   0.01    -0.02  -0.03   0.01
    28   6    -0.02   0.04  -0.06     0.09   0.03   0.00    -0.02   0.01  -0.02
    29   6     0.00  -0.04   0.09    -0.08   0.04   0.02     0.02  -0.01   0.02
    30   6    -0.00  -0.03  -0.08    -0.07  -0.01   0.02     0.00   0.03  -0.01
    31   1     0.13   0.12  -0.22     0.10  -0.19   0.22    -0.23  -0.22   0.31
    32   1     0.15   0.12  -0.28     0.03   0.04   0.24    -0.16  -0.12   0.26
    33   1    -0.01  -0.03  -0.10    -0.20   0.08  -0.11     0.10   0.10  -0.20
    34   1     0.11   0.06  -0.23     0.01  -0.02  -0.07     0.08   0.08  -0.25
    35   1    -0.02  -0.04   0.22     0.02   0.06  -0.11     0.00   0.02  -0.00
    36   1    -0.03   0.06   0.05     0.25   0.14   0.00    -0.03  -0.00  -0.03
    37   1    -0.06  -0.09   0.36    -0.10  -0.03   0.04     0.02  -0.03   0.10
    38   1    -0.02  -0.17   0.33    -0.16  -0.19   0.01     0.03  -0.05   0.14
    39   1     0.05   0.01   0.14     0.07   0.08   0.02    -0.03  -0.05   0.06
    40   1    -0.02   0.03  -0.17     0.13  -0.10  -0.06    -0.03   0.04   0.00
    41  35    -0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    42   1    -0.03   0.03  -0.23    -0.04   0.01  -0.03    -0.04   0.06  -0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --    760.0697               764.9123               777.3879
 Red. masses --      1.8602                 4.9192                 1.6910
 Frc consts  --      0.6332                 1.6958                 0.6021
 IR Inten    --     11.5087                 5.0612                 6.0833
 RamAct Fr= 1--      2.6491                 1.3524                 0.9570
  Dep-P Fr= 1--      0.4924                 0.4775                 0.5387
  Dep-U Fr= 1--      0.6598                 0.6464                 0.7002
 Alpha2 Fr= 1--      0.0136                 0.0074                 0.0039
 Beta2  Fr= 1--      0.2913                 0.1457                 0.1117
 AlphaG Fr= 1--     -0.1653                -0.0696                 0.0133
 Gamma2 Fr= 1--     -7.3364                -0.0774                -3.4471
 Delta2 Fr= 1--     -1.6556                 0.3597                -0.0645
 Raman1 Fr= 1--      10.597                  5.410                  3.828
 ROA1   Fr= 1--    -757.271                  4.080               -332.987
 CID1   Fr= 1--     -71.464                  0.754                -86.990
 Raman2 Fr= 1--       3.496                  1.748                  1.340
 ROA2   Fr= 1--    -162.828                 -4.735                -82.214
 CID2   Fr= 1--     -46.575                 -2.708                -61.350
 Raman3 Fr= 1--       6.992                  3.497                  2.680
 ROA3   Fr= 1--    -757.271                  4.080               -332.987
 CID3   Fr= 1--    -108.304                  1.167               -124.242
 RC180  Fr= 1--       0.320                  0.293                  0.400
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.07   0.05  -0.10     0.04   0.04  -0.01    -0.04   0.01   0.09
     2   6    -0.03  -0.06   0.02    -0.02   0.00  -0.08    -0.01   0.06   0.00
     3   6    -0.01  -0.02  -0.01    -0.03  -0.10  -0.08     0.01   0.01  -0.01
     4   1     0.17   0.23  -0.28    -0.19  -0.10  -0.06    -0.09  -0.15   0.16
     5   6    -0.02  -0.04   0.06     0.14   0.03   0.07     0.03   0.02  -0.02
     6   1     0.21   0.21  -0.24     0.02   0.07   0.22    -0.13  -0.10   0.19
     7   6    -0.03   0.01   0.02     0.04   0.03   0.07     0.05  -0.01   0.00
     8   1     0.16   0.19  -0.27    -0.08  -0.08   0.10    -0.05  -0.11   0.16
     9   6    -0.03   0.02   0.02     0.00   0.09  -0.01     0.01  -0.02   0.01
    10   6    -0.02   0.04  -0.00    -0.09   0.06  -0.04     0.02  -0.03  -0.02
    11   6     0.05   0.04  -0.06    -0.09  -0.01   0.03    -0.05  -0.01   0.03
    12   6     0.04  -0.01  -0.02    -0.01  -0.05   0.05    -0.02   0.04  -0.04
    13   6     0.00  -0.02   0.04     0.10  -0.01   0.02     0.00  -0.00  -0.02
    14   6    -0.00  -0.02  -0.02    -0.05  -0.13  -0.13     0.00  -0.01  -0.02
    15   6    -0.02  -0.06   0.07    -0.02  -0.07  -0.11    -0.03   0.06   0.00
    16   6     0.02  -0.00  -0.06    -0.05  -0.05   0.01    -0.01   0.01   0.02
    17   6    -0.04  -0.02   0.03    -0.05   0.05  -0.01     0.01  -0.01   0.04
    18   6     0.02   0.05   0.02     0.08   0.19   0.16    -0.03  -0.04   0.03
    19   6    -0.02  -0.02  -0.00    -0.05  -0.03  -0.03     0.01   0.03   0.03
    20   6    -0.01   0.01  -0.00     0.01   0.05   0.03     0.03   0.01  -0.01
    21   6     0.01   0.03  -0.05     0.09  -0.07   0.02     0.08  -0.02  -0.05
    22   6     0.03   0.01  -0.02     0.08  -0.04   0.02    -0.00   0.01  -0.06
    23   6    -0.01   0.01  -0.08    -0.02  -0.08   0.05    -0.03   0.02  -0.01
    24   6    -0.03  -0.01   0.06    -0.13   0.12  -0.01    -0.02  -0.03   0.04
    25   6    -0.02   0.01   0.02    -0.06  -0.04  -0.02    -0.01  -0.07   0.01
    26   6     0.02  -0.00   0.06     0.04  -0.00  -0.05    -0.00  -0.03  -0.02
    27   6     0.03   0.05  -0.02     0.11   0.08   0.04     0.00  -0.02  -0.03
    28   6     0.02  -0.01   0.02     0.09   0.05  -0.01     0.03   0.02  -0.02
    29   6    -0.01   0.01  -0.02    -0.07   0.03   0.04    -0.02   0.01   0.03
    30   6     0.01  -0.05   0.01    -0.05  -0.06  -0.03    -0.04   0.04   0.02
    31   1    -0.04   0.02   0.08    -0.10   0.05   0.12    -0.01  -0.06  -0.00
    32   1    -0.00  -0.04   0.00    -0.14  -0.20   0.02    -0.08  -0.06   0.08
    33   1     0.00  -0.01  -0.09     0.05  -0.05  -0.21     0.12   0.15  -0.31
    34   1     0.10   0.09  -0.11     0.15   0.24   0.05     0.06   0.10  -0.26
    35   1    -0.07  -0.11   0.28     0.06  -0.06  -0.21     0.03  -0.15   0.38
    36   1    -0.04  -0.12   0.34     0.09   0.08  -0.10    -0.11  -0.08   0.36
    37   1    -0.03   0.08  -0.25    -0.12   0.05   0.22    -0.00   0.09  -0.27
    38   1    -0.05   0.12  -0.27     0.01  -0.14   0.26    -0.01   0.03  -0.29
    39   1     0.05   0.05  -0.03     0.07   0.09   0.02    -0.01  -0.08   0.16
    40   1     0.03  -0.05   0.02     0.14  -0.08  -0.10     0.05  -0.05   0.11
    41  35    -0.00  -0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    42   1     0.07  -0.10   0.08    -0.00  -0.03  -0.14    -0.04   0.02   0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --    783.2196               795.4389               815.2457
 Red. masses --      3.0086                 1.6342                 2.0596
 Frc consts  --      1.0874                 0.6092                 0.8065
 IR Inten    --     12.3569                 1.3595                 4.5912
 RamAct Fr= 1--      3.7645                 1.4956                 0.9781
  Dep-P Fr= 1--      0.6562                 0.7300                 0.6726
  Dep-U Fr= 1--      0.7925                 0.8439                 0.8043
 Alpha2 Fr= 1--      0.0063                 0.0005                 0.0013
 Beta2  Fr= 1--      0.4972                 0.2104                 0.1311
 AlphaG Fr= 1--      0.0765                -0.0364                 0.0002
 Gamma2 Fr= 1--     -1.1782                -4.6034                -2.9653
 Delta2 Fr= 1--     -2.5651                 0.0070                -0.4817
 Raman1 Fr= 1--      15.058                  5.982                  3.912
 ROA1   Fr= 1--    -195.194               -441.701               -300.081
 CID1   Fr= 1--     -12.963                -73.833                -76.700
 Raman2 Fr= 1--       5.966                  2.524                  1.573
 ROA2   Fr= 1--      -7.757               -110.537                -67.313
 CID2   Fr= 1--      -1.300                -43.789                -42.785
 Raman3 Fr= 1--      11.933                  5.049                  3.147
 ROA3   Fr= 1--    -195.194               -441.701               -300.081
 CID3   Fr= 1--     -16.358                -87.489                -95.367
 RC180  Fr= 1--       0.585                  0.688                  0.609
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.02   0.13   0.03    -0.02  -0.02   0.01    -0.27  -0.29   0.26
     2   6    -0.07   0.05   0.05    -0.00  -0.01   0.00     0.00  -0.00   0.00
     3   6    -0.01  -0.01   0.00    -0.00   0.00  -0.00     0.05   0.07  -0.06
     4   1     0.20   0.15  -0.17     0.03   0.05  -0.05    -0.19  -0.19   0.22
     5   6    -0.01  -0.03   0.05    -0.01  -0.02   0.02    -0.03  -0.04   0.03
     6   1     0.16   0.25  -0.16     0.07   0.07  -0.08     0.00  -0.02  -0.00
     7   6     0.07  -0.06   0.04    -0.01  -0.00   0.01     0.01   0.00  -0.01
     8   1     0.23   0.09  -0.13     0.06   0.06  -0.09     0.20   0.18  -0.26
     9   6     0.03  -0.01   0.01    -0.01  -0.00   0.01    -0.10  -0.08   0.12
    10   6     0.01  -0.07  -0.01    -0.00   0.01   0.00     0.05   0.05  -0.07
    11   6     0.03   0.09  -0.05     0.03   0.02  -0.03     0.08   0.06  -0.08
    12   6    -0.09   0.05  -0.00    -0.02  -0.02   0.04    -0.04  -0.02   0.07
    13   6    -0.03  -0.03  -0.00     0.01   0.00  -0.02     0.03   0.01  -0.05
    14   6    -0.01  -0.08  -0.01    -0.01  -0.02   0.01     0.01   0.00  -0.02
    15   6    -0.07   0.10   0.06    -0.00  -0.00   0.00    -0.00   0.01   0.00
    16   6    -0.01   0.04  -0.03    -0.01  -0.01   0.02     0.01   0.01  -0.04
    17   6     0.06   0.04  -0.00     0.01   0.02  -0.03    -0.01  -0.01   0.02
    18   6     0.00  -0.01  -0.06     0.01   0.01  -0.01    -0.02  -0.01   0.03
    19   6     0.00   0.08  -0.03     0.00   0.01  -0.07     0.01   0.02  -0.05
    20   6     0.05   0.01   0.02    -0.00   0.01   0.01    -0.00  -0.01   0.06
    21   6     0.14  -0.09   0.00    -0.00  -0.00   0.01    -0.00  -0.00  -0.01
    22   6    -0.02  -0.04   0.03     0.01  -0.01   0.01    -0.01  -0.01   0.02
    23   6    -0.06   0.04  -0.02     0.02  -0.03   0.10     0.01   0.00   0.03
    24   6    -0.04   0.01  -0.01    -0.00   0.00   0.02     0.00   0.01  -0.03
    25   6    -0.02  -0.10  -0.06     0.00  -0.03   0.06     0.01  -0.01  -0.01
    26   6     0.01  -0.07   0.01    -0.01   0.02  -0.07    -0.00   0.01  -0.02
    27   6     0.01  -0.04  -0.01    -0.00   0.02  -0.04    -0.01  -0.01   0.01
    28   6     0.06  -0.00   0.03    -0.02   0.05  -0.10    -0.01  -0.01   0.01
    29   6    -0.06   0.05  -0.00     0.01  -0.04   0.07     0.00  -0.00  -0.01
    30   6    -0.07   0.06   0.07    -0.00   0.01  -0.02     0.00   0.01   0.01
    31   1     0.08  -0.00  -0.12     0.03   0.04  -0.03    -0.12  -0.11   0.23
    32   1     0.07   0.02  -0.19     0.04   0.01  -0.06    -0.19  -0.21   0.37
    33   1    -0.06  -0.05   0.35    -0.05  -0.06   0.16     0.04   0.07  -0.14
    34   1    -0.20  -0.10   0.20    -0.08  -0.07   0.19     0.06   0.08  -0.19
    35   1     0.21   0.01  -0.20    -0.00   0.00  -0.04     0.02   0.03  -0.11
    36   1    -0.01   0.14  -0.13     0.03   0.03  -0.10    -0.00  -0.01   0.01
    37   1    -0.02  -0.02   0.12     0.01   0.10  -0.25     0.01  -0.02   0.08
    38   1     0.03  -0.15   0.05     0.01   0.09  -0.27     0.02  -0.06   0.13
    39   1    -0.09   0.03  -0.17     0.08  -0.22   0.58    -0.02   0.02  -0.07
    40   1     0.05   0.03  -0.11     0.07  -0.18   0.41    -0.02   0.03  -0.06
    41  35     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    42   1    -0.08   0.06   0.09    -0.06   0.09  -0.18    -0.03   0.04  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --    829.6371               838.9481               850.2296
 Red. masses --      4.6273                 2.3555                 2.1200
 Frc consts  --      1.8765                 0.9768                 0.9030
 IR Inten    --     17.9484                16.9697                 2.4520
 RamAct Fr= 1--      2.9880                 3.7127                 1.4959
  Dep-P Fr= 1--      0.7454                 0.1473                 0.3169
  Dep-U Fr= 1--      0.8542                 0.2568                 0.4813
 Alpha2 Fr= 1--      0.0002                 0.0578                 0.0146
 Beta2  Fr= 1--      0.4254                 0.1589                 0.1200
 AlphaG Fr= 1--     -0.0011                -0.0282                 0.0318
 Gamma2 Fr= 1--     -6.2687                 2.8232                 1.8536
 Delta2 Fr= 1--     -9.7079                 0.3867                -0.9145
 Raman1 Fr= 1--      11.952                 14.851                  5.984
 ROA1   Fr= 1--    -912.451                283.399                148.686
 CID1   Fr= 1--     -76.344                 19.083                 24.849
 Raman2 Fr= 1--       5.104                  1.907                  1.440
 ROA2   Fr= 1--     -72.786                 64.663                 51.804
 CID2   Fr= 1--     -14.260                 33.908                 35.979
 Raman3 Fr= 1--      10.209                  3.814                  2.880
 ROA3   Fr= 1--    -912.451                283.399                148.686
 CID3   Fr= 1--     -89.379                 74.305                 51.634
 RC180  Fr= 1--       0.708                 -0.486                 -0.037
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.04  -0.17  -0.07     0.05   0.06  -0.05    -0.09  -0.09   0.10
     2   6     0.08  -0.06   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.01
     3   6     0.02   0.09   0.08    -0.02  -0.03   0.01     0.01   0.00  -0.03
     4   1     0.04   0.05   0.12     0.08   0.10  -0.13    -0.09  -0.08   0.06
     5   6    -0.12  -0.01  -0.08     0.01  -0.00   0.01     0.01  -0.01   0.02
     6   1    -0.04  -0.09  -0.18     0.05   0.07  -0.05     0.05   0.05  -0.03
     7   6    -0.04  -0.03  -0.05    -0.00   0.00   0.00    -0.01  -0.00   0.02
     8   1     0.03   0.03  -0.03    -0.04  -0.03   0.03     0.09   0.09  -0.13
     9   6     0.02  -0.03   0.01     0.01   0.02  -0.02    -0.01   0.00   0.00
    10   6    -0.03   0.10   0.05    -0.02  -0.03   0.03     0.01   0.00  -0.02
    11   6     0.08  -0.07  -0.00     0.01   0.02  -0.02     0.00   0.01  -0.01
    12   6     0.00  -0.09   0.01    -0.03  -0.01   0.05    -0.02  -0.02   0.04
    13   6    -0.02  -0.01  -0.06     0.05   0.04  -0.08     0.00  -0.00   0.03
    14   6    -0.01   0.12   0.07    -0.03  -0.05   0.05     0.01  -0.00  -0.03
    15   6     0.02  -0.06  -0.08    -0.01   0.01   0.02     0.05   0.01  -0.10
    16   6    -0.04   0.04   0.08     0.00  -0.02   0.03    -0.04  -0.05   0.12
    17   6     0.16   0.07   0.04    -0.03  -0.01  -0.01    -0.01   0.01  -0.09
    18   6     0.00  -0.05  -0.03    -0.02  -0.00   0.03     0.02   0.03  -0.02
    19   6    -0.02  -0.08  -0.06     0.01   0.04  -0.10     0.02  -0.00   0.10
    20   6     0.05  -0.01   0.05    -0.02  -0.03   0.13    -0.01   0.04  -0.10
    21   6     0.08  -0.05  -0.06    -0.01   0.04  -0.07    -0.01   0.01   0.02
    22   6    -0.13   0.01  -0.09     0.04   0.01  -0.03     0.02   0.01  -0.04
    23   6    -0.06  -0.10   0.02     0.04  -0.01   0.10     0.01   0.03  -0.01
    24   6    -0.08   0.12   0.02     0.02  -0.01  -0.05    -0.00  -0.02   0.07
    25   6    -0.03   0.07   0.04     0.02  -0.04   0.02     0.01  -0.05   0.04
    26   6    -0.01  -0.01  -0.06    -0.02   0.06  -0.13    -0.01   0.02  -0.08
    27   6     0.09   0.01   0.03    -0.01  -0.03   0.07    -0.00  -0.03   0.05
    28   6     0.15   0.05   0.02    -0.04  -0.03   0.03    -0.01  -0.03   0.05
    29   6    -0.11   0.08   0.04     0.03  -0.02  -0.04     0.00   0.00  -0.02
    30   6    -0.07  -0.08  -0.02     0.02   0.03   0.02     0.00   0.03  -0.00
    31   1    -0.08   0.07  -0.03     0.19   0.16  -0.25    -0.08  -0.08   0.14
    32   1     0.13   0.11   0.04     0.14   0.11  -0.26    -0.06  -0.05   0.07
    33   1     0.13   0.07   0.14     0.03   0.06  -0.19    -0.12  -0.15   0.25
    34   1    -0.22  -0.09   0.15     0.02  -0.01   0.02    -0.08  -0.12   0.31
    35   1     0.10  -0.11   0.34    -0.09  -0.10   0.26    -0.05  -0.06   0.19
    36   1    -0.21  -0.05   0.22    -0.04  -0.15   0.35     0.03   0.03  -0.09
    37   1    -0.15   0.08  -0.06     0.05   0.04  -0.10     0.04   0.16  -0.36
    38   1     0.06   0.02   0.13     0.01  -0.08   0.13     0.01   0.07  -0.33
    39   1    -0.03   0.09  -0.12    -0.03   0.09  -0.27    -0.04   0.09  -0.25
    40   1     0.17  -0.01  -0.23    -0.12   0.17  -0.32    -0.08   0.16  -0.34
    41  35     0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.04  -0.07  -0.11    -0.09   0.14  -0.17    -0.01  -0.01   0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --    855.3348               856.4748               865.9647
 Red. masses --      4.6408                 3.1863                 1.7331
 Frc consts  --      2.0004                 1.3771                 0.7657
 IR Inten    --      3.3355                 7.1146                91.6861
 RamAct Fr= 1--     13.9941                 5.7560                 1.1449
  Dep-P Fr= 1--      0.0745                 0.1304                 0.4927
  Dep-U Fr= 1--      0.1387                 0.2307                 0.6602
 Alpha2 Fr= 1--      0.2607                 0.0935                 0.0058
 Beta2  Fr= 1--      0.3235                 0.2214                 0.1260
 AlphaG Fr= 1--      0.1757                 0.1240                -0.0147
 Gamma2 Fr= 1--     -2.9401                 1.2957                -0.6665
 Delta2 Fr= 1--     -2.4369                 0.2943                -1.2279
 Raman1 Fr= 1--      55.977                 23.024                  4.580
 ROA1   Fr= 1--    -360.230                133.803               -103.283
 CID1   Fr= 1--      -6.435                  5.811                -22.553
 Raman2 Fr= 1--       3.882                  2.656                  1.512
 ROA2   Fr= 1--     -51.067                 28.743                 -6.174
 CID2   Fr= 1--     -13.154                 10.820                 -4.084
 Raman3 Fr= 1--       7.764                  5.313                  3.023
 ROA3   Fr= 1--    -360.230                133.803               -103.283
 CID3   Fr= 1--     -46.396                 25.185                -34.163
 RC180  Fr= 1--      -0.723                 -0.539                  0.320
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.03   0.15   0.24     0.07   0.12  -0.02    -0.03  -0.01   0.05
     2   6    -0.08   0.12   0.04    -0.02   0.03   0.01    -0.01   0.02  -0.01
     3   6     0.02  -0.02  -0.04     0.00  -0.02  -0.01     0.01  -0.01  -0.02
     4   1     0.04  -0.08   0.02    -0.02  -0.06   0.03    -0.06  -0.07   0.05
     5   6     0.07  -0.02   0.08     0.04   0.02  -0.01     0.02  -0.00   0.01
     6   1     0.11   0.13   0.03    -0.11  -0.11   0.18     0.01  -0.00   0.03
     7   6     0.05  -0.01   0.04     0.02   0.02  -0.01    -0.01   0.00   0.01
     8   1     0.12   0.05  -0.04    -0.08  -0.07   0.10     0.03   0.04  -0.06
     9   6    -0.00  -0.05  -0.02    -0.01  -0.01   0.01    -0.01   0.00  -0.00
    10   6     0.10  -0.19  -0.05     0.04  -0.02  -0.04     0.02  -0.01  -0.02
    11   6    -0.07   0.12  -0.07    -0.06  -0.02   0.04    -0.02  -0.00   0.01
    12   6    -0.16   0.04   0.00     0.08   0.06  -0.13     0.02   0.01  -0.02
    13   6    -0.00   0.07  -0.05    -0.09  -0.06   0.14    -0.03  -0.02   0.07
    14   6    -0.01   0.04   0.06     0.05   0.04  -0.07     0.02   0.01  -0.03
    15   6    -0.05  -0.01  -0.09    -0.06  -0.02   0.15     0.01  -0.00  -0.00
    16   6     0.05  -0.01   0.07     0.03   0.03  -0.09    -0.02  -0.03   0.08
    17   6     0.08   0.04   0.03     0.02   0.01   0.01     0.01   0.02  -0.06
    18   6    -0.03  -0.04  -0.01     0.02   0.01  -0.08     0.02   0.03  -0.05
    19   6    -0.08  -0.11   0.02    -0.03  -0.00  -0.13    -0.00   0.00  -0.01
    20   6    -0.02  -0.04  -0.03     0.00  -0.02   0.05    -0.01  -0.02   0.09
    21   6    -0.07   0.04   0.01     0.01   0.00  -0.02     0.01   0.03  -0.07
    22   6     0.12   0.00  -0.00    -0.00  -0.01   0.04     0.02   0.03  -0.06
    23   6    -0.05  -0.11  -0.02     0.00  -0.07   0.09     0.00   0.02  -0.01
    24   6     0.04  -0.05  -0.02     0.01  -0.01   0.00     0.00   0.01  -0.06
    25   6    -0.02   0.20   0.07    -0.00   0.03   0.08     0.00   0.00  -0.07
    26   6    -0.02   0.04   0.02    -0.02   0.05  -0.12     0.01  -0.02   0.07
    27   6     0.04   0.03   0.01     0.03  -0.01   0.06    -0.01   0.02  -0.03
    28   6     0.07   0.04   0.00     0.03   0.00   0.03    -0.03   0.00  -0.03
    29   6    -0.01   0.02   0.02    -0.01   0.02  -0.01     0.02  -0.02  -0.00
    30   6     0.02  -0.13  -0.08     0.00  -0.03  -0.01     0.01   0.02   0.01
    31   1     0.08  -0.21  -0.24    -0.18  -0.22   0.27    -0.09  -0.12   0.15
    32   1    -0.16   0.19  -0.10    -0.19  -0.12   0.26    -0.08  -0.04   0.08
    33   1     0.08   0.18  -0.01    -0.09  -0.07   0.31    -0.11  -0.12   0.27
    34   1    -0.10  -0.03   0.02    -0.06  -0.04   0.05    -0.11  -0.14   0.32
    35   1    -0.14  -0.04   0.02     0.01   0.01  -0.06    -0.07  -0.13   0.38
    36   1     0.15  -0.16   0.05     0.02   0.01  -0.05    -0.07  -0.13   0.36
    37   1    -0.09  -0.19  -0.06    -0.03   0.04  -0.28     0.02  -0.08   0.30
    38   1    -0.15   0.22   0.11    -0.03   0.11  -0.12     0.01  -0.14   0.33
    39   1     0.05   0.04   0.01    -0.01   0.08  -0.18     0.03  -0.05   0.12
    40   1     0.10  -0.02  -0.02    -0.01   0.11  -0.29     0.01  -0.09   0.23
    41  35    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    42   1     0.22  -0.19  -0.05    -0.02   0.07  -0.24    -0.01   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --    888.0190               928.7696               935.3448
 Red. masses --      1.8112                 2.7486                 1.9265
 Frc consts  --      0.8415                 1.3969                 0.9931
 IR Inten    --      3.8498                 7.0574                 7.6546
 RamAct Fr= 1--      0.5077                42.3891                15.1900
  Dep-P Fr= 1--      0.7153                 0.0833                 0.0872
  Dep-U Fr= 1--      0.8340                 0.1538                 0.1604
 Alpha2 Fr= 1--      0.0003                 0.7730                 0.2744
 Beta2  Fr= 1--      0.0706                 1.0864                 0.4061
 AlphaG Fr= 1--     -0.0123                 2.0054                 1.1464
 Gamma2 Fr= 1--      0.7077                -7.8686                -2.0540
 Delta2 Fr= 1--     -0.0560                -2.2038                 2.1437
 Raman1 Fr= 1--       2.031                169.556                 60.760
 ROA1   Fr= 1--      66.151               -825.903               -128.581
 CID1   Fr= 1--      32.575                 -4.871                 -2.116
 Raman2 Fr= 1--       0.847                 13.037                  4.873
 ROA2   Fr= 1--      17.433               -171.215                -66.445
 CID2   Fr= 1--      20.587                -13.133                -13.635
 Raman3 Fr= 1--       1.694                 26.074                  9.746
 ROA3   Fr= 1--      66.151               -825.903               -128.581
 CID3   Fr= 1--      39.059                -31.676                -13.193
 RC180  Fr= 1--       0.668                 -0.692                 -0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.23   0.23  -0.24     0.00  -0.05  -0.03    -0.01   0.03   0.03
     2   6    -0.04  -0.06   0.05     0.04  -0.02   0.01    -0.03   0.02  -0.01
     3   6    -0.04  -0.04   0.04     0.01   0.07   0.07    -0.01  -0.05  -0.04
     4   1     0.26   0.28  -0.31     0.05   0.05   0.09     0.00  -0.00  -0.10
     5   6     0.01   0.03  -0.03    -0.05   0.00  -0.04     0.04  -0.01   0.03
     6   1    -0.17  -0.15   0.20    -0.04  -0.02  -0.06     0.04   0.02   0.02
     7   6     0.07   0.06  -0.08     0.06  -0.06  -0.01    -0.04   0.05  -0.00
     8   1    -0.30  -0.30   0.40     0.08  -0.05   0.08    -0.09   0.00  -0.01
     9   6    -0.07  -0.06   0.09     0.02  -0.02   0.01    -0.02   0.01  -0.01
    10   6     0.03   0.02  -0.04    -0.02   0.05   0.01     0.02  -0.03  -0.01
    11   6     0.07   0.07  -0.07    -0.03  -0.02  -0.03     0.03   0.02   0.02
    12   6    -0.04  -0.01   0.05    -0.08  -0.00  -0.08     0.06  -0.00   0.04
    13   6     0.01   0.00  -0.01    -0.01  -0.03   0.01     0.01   0.02  -0.00
    14   6     0.01   0.00  -0.02     0.00   0.02   0.00    -0.00  -0.00   0.00
    15   6     0.01  -0.00  -0.04    -0.12  -0.03  -0.03     0.07   0.00   0.03
    16   6    -0.01  -0.01   0.03    -0.02  -0.00  -0.01     0.02   0.01  -0.00
    17   6     0.01   0.01  -0.02     0.06   0.04   0.05    -0.03  -0.02  -0.03
    18   6    -0.00  -0.00  -0.00     0.04   0.06   0.01    -0.03  -0.04  -0.01
    19   6     0.00  -0.00   0.02    -0.09  -0.03  -0.03     0.05   0.01  -0.04
    20   6    -0.00   0.00  -0.01    -0.02   0.02   0.00     0.01  -0.02   0.02
    21   6    -0.00   0.00  -0.00     0.03  -0.02   0.01    -0.02   0.02  -0.02
    22   6     0.01   0.00  -0.01     0.10  -0.01   0.01    -0.07   0.00   0.01
    23   6    -0.00   0.01  -0.01     0.00  -0.02   0.05     0.03  -0.02   0.05
    24   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.03   0.00
    25   6     0.00  -0.00  -0.01     0.00  -0.05  -0.01    -0.00   0.01   0.01
    26   6     0.00  -0.00   0.01     0.02   0.03  -0.02    -0.01  -0.01  -0.02
    27   6    -0.00   0.00  -0.00     0.02   0.05   0.06     0.00  -0.05   0.03
    28   6    -0.00  -0.00   0.00    -0.09  -0.04  -0.03     0.03   0.02  -0.04
    29   6     0.00  -0.00  -0.00     0.09  -0.07  -0.00    -0.05   0.02   0.07
    30   6     0.00  -0.00   0.01     0.02   0.11  -0.10    -0.06   0.05  -0.12
    31   1    -0.05  -0.05   0.09    -0.08  -0.00   0.03     0.04  -0.01  -0.02
    32   1    -0.11  -0.11   0.21     0.04  -0.01   0.03    -0.04   0.01  -0.01
    33   1    -0.02  -0.02   0.09     0.11   0.02  -0.06    -0.07  -0.01   0.05
    34   1    -0.02  -0.01   0.03    -0.12   0.05   0.12     0.08  -0.02  -0.11
    35   1    -0.01  -0.02   0.04    -0.05  -0.09  -0.13     0.02   0.03   0.15
    36   1     0.00  -0.01   0.01     0.09  -0.01   0.08    -0.04   0.02  -0.13
    37   1     0.00   0.01   0.01     0.05   0.05   0.02    -0.03   0.02  -0.00
    38   1     0.01  -0.01   0.01    -0.03  -0.03  -0.07     0.05  -0.01   0.02
    39   1     0.00  -0.00   0.01     0.10   0.13  -0.21    -0.09   0.07  -0.25
    40   1    -0.00  -0.00   0.01    -0.07  -0.10   0.14     0.08  -0.12   0.19
    41  35    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1    -0.01   0.01  -0.02     0.19  -0.27   0.69     0.18  -0.36   0.72
                     55                     56                     57
                      A                      A                      A
 Frequencies --    938.8060               950.7624               952.9544
 Red. masses --      4.1303                 1.3158                 1.3181
 Frc consts  --      2.1448                 0.7008                 0.7052
 IR Inten    --      9.0743                 1.3880                 1.3299
 RamAct Fr= 1--      5.4035                13.4855                 8.5746
  Dep-P Fr= 1--      0.6890                 0.2564                 0.5545
  Dep-U Fr= 1--      0.8158                 0.4081                 0.7134
 Alpha2 Fr= 1--      0.0058                 0.1570                 0.0320
 Beta2  Fr= 1--      0.7347                 0.9173                 1.0195
 AlphaG Fr= 1--      0.0110                -1.3153                -0.3437
 Gamma2 Fr= 1--     -2.4822               -22.7222                 0.0828
 Delta2 Fr= 1--      0.7532                -7.9287                 0.8579
 Raman1 Fr= 1--      21.614                 53.942                 34.298
 ROA1   Fr= 1--    -214.191              -2435.048                 35.404
 CID1   Fr= 1--      -9.910                -45.142                  1.032
 Raman2 Fr= 1--       8.817                 11.008                 12.234
 ROA2   Fr= 1--     -65.599               -481.903                 -4.876
 CID2   Fr= 1--      -7.440                -43.778                 -0.399
 Raman3 Fr= 1--      17.634                 22.016                 24.468
 ROA3   Fr= 1--    -214.191              -2435.048                 35.404
 CID3   Fr= 1--     -12.147               -110.605                  1.447
 RC180  Fr= 1--       0.632                 -0.184                  0.427
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02  -0.19  -0.11    -0.01  -0.03   0.01     0.08   0.08  -0.09
     2   6     0.08  -0.09  -0.03     0.01  -0.00  -0.00    -0.01  -0.02   0.02
     3   6    -0.01   0.05   0.04     0.00   0.01   0.01    -0.01  -0.01  -0.00
     4   1    -0.05   0.07   0.03    -0.02  -0.01   0.03     0.03   0.04  -0.05
     5   6    -0.08   0.01  -0.05    -0.02  -0.01   0.00     0.04   0.04  -0.05
     6   1    -0.06   0.06  -0.07     0.05   0.06  -0.07    -0.24  -0.24   0.30
     7   6     0.06  -0.06  -0.01     0.02  -0.01  -0.01    -0.03  -0.03   0.04
     8   1     0.07  -0.06   0.07    -0.01  -0.04   0.05     0.19   0.18  -0.24
     9   6     0.01   0.03   0.03     0.01   0.00  -0.00    -0.00   0.00   0.01
    10   6    -0.06   0.11   0.05    -0.01  -0.00   0.02     0.02   0.03  -0.04
    11   6     0.02  -0.04   0.02    -0.01  -0.00  -0.00     0.02   0.01  -0.00
    12   6    -0.04   0.12   0.03    -0.01   0.01  -0.01    -0.00   0.00   0.01
    13   6     0.01  -0.02   0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   6     0.03  -0.16  -0.09     0.01   0.00  -0.02    -0.02  -0.04   0.04
    15   6    -0.03   0.19   0.00    -0.01   0.00  -0.00     0.00   0.01  -0.00
    16   6    -0.01  -0.03   0.04    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6    -0.05  -0.02  -0.07     0.01   0.02  -0.02    -0.02  -0.02   0.03
    18   6    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.01   0.01  -0.04
    19   6    -0.03   0.13   0.03    -0.01  -0.01   0.01     0.01   0.02   0.01
    20   6    -0.02  -0.03   0.02    -0.00   0.00  -0.01     0.00   0.00  -0.01
    21   6    -0.00   0.00   0.00     0.01   0.01  -0.03    -0.01  -0.01   0.03
    22   6     0.08   0.01  -0.02     0.01  -0.02   0.04     0.00   0.01  -0.02
    23   6    -0.01  -0.05   0.02    -0.01   0.00  -0.02    -0.00   0.00  -0.01
    24   6     0.09  -0.15  -0.07     0.00  -0.03   0.05     0.00  -0.02   0.01
    25   6    -0.02   0.12   0.06     0.00   0.02  -0.05    -0.00   0.01  -0.00
    26   6    -0.04   0.02   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    27   6    -0.02  -0.07  -0.02     0.01  -0.02   0.06     0.00  -0.03   0.04
    28   6     0.09   0.05   0.01    -0.02   0.03  -0.07     0.00   0.03  -0.05
    29   6    -0.04   0.05   0.04     0.01  -0.01  -0.01    -0.01   0.01   0.00
    30   6    -0.02  -0.11  -0.09     0.01  -0.02   0.04    -0.00  -0.02   0.01
    31   1     0.13   0.27   0.13     0.07   0.08  -0.11    -0.16  -0.14   0.27
    32   1     0.12  -0.30   0.08    -0.05  -0.06   0.10     0.16   0.12  -0.27
    33   1    -0.13  -0.08   0.14    -0.05  -0.07   0.18     0.07   0.09  -0.23
    34   1     0.06   0.00  -0.03     0.07   0.09  -0.19    -0.08  -0.10   0.21
    35   1    -0.03  -0.02  -0.02    -0.04  -0.09   0.22     0.03   0.06  -0.15
    36   1     0.04  -0.04   0.16     0.07   0.08  -0.24    -0.03  -0.04   0.12
    37   1    -0.04  -0.33   0.04     0.01   0.11  -0.36    -0.00   0.01  -0.11
    38   1    -0.26   0.20  -0.00     0.00  -0.11   0.34    -0.01  -0.01   0.06
    39   1    -0.11  -0.06  -0.01    -0.05   0.15  -0.38    -0.06   0.10  -0.28
    40   1     0.08   0.08   0.02     0.06  -0.17   0.41     0.06  -0.11   0.29
    41  35     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.17  -0.22   0.07    -0.05   0.10  -0.21    -0.02   0.03  -0.09
                     58                     59                     60
                      A                      A                      A
 Frequencies --    956.7392               961.3895               966.7778
 Red. masses --      1.3342                 1.3445                 1.3261
 Frc consts  --      0.7196                 0.7322                 0.7303
 IR Inten    --      0.1877                 1.8985                 0.8722
 RamAct Fr= 1--      3.0078                 2.4198                 2.0484
  Dep-P Fr= 1--      0.7434                 0.7001                 0.4727
  Dep-U Fr= 1--      0.8528                 0.8236                 0.6419
 Alpha2 Fr= 1--      0.0003                 0.0021                 0.0114
 Beta2  Fr= 1--      0.4275                 0.3322                 0.2192
 AlphaG Fr= 1--      0.0141                 0.0061                 0.0376
 Gamma2 Fr= 1--      6.5183                 6.6196               -11.1228
 Delta2 Fr= 1--     -1.0035                 3.3618                 1.0074
 Raman1 Fr= 1--      12.031                  9.679                  8.194
 ROA1   Fr= 1--     593.647                743.059              -1035.550
 CID1   Fr= 1--      49.343                 76.769               -126.385
 Raman2 Fr= 1--       5.130                  3.986                  2.630
 ROA2   Fr= 1--     164.467                131.976               -275.005
 CID2   Fr= 1--      32.059                 33.111               -104.572
 Raman3 Fr= 1--      10.260                  7.972                  5.260
 ROA3   Fr= 1--     593.647                743.059              -1035.550
 CID3   Fr= 1--      57.859                 93.211               -196.886
 RC180  Fr= 1--       0.706                  0.647                  0.284
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.07   0.07  -0.08    -0.04  -0.05   0.03    -0.02  -0.02   0.02
     2   6    -0.01  -0.02   0.02     0.01   0.00  -0.01     0.01   0.01  -0.01
     3   6    -0.00   0.00   0.01     0.00   0.01   0.00     0.01   0.01   0.00
     4   1     0.04   0.04  -0.03    -0.02  -0.01   0.02    -0.03  -0.04   0.05
     5   6     0.03   0.04  -0.05    -0.02  -0.02   0.02    -0.02  -0.02   0.02
     6   1    -0.24  -0.24   0.28     0.11   0.12  -0.14     0.11   0.11  -0.14
     7   6    -0.02  -0.04   0.04     0.02   0.01  -0.03     0.02   0.01  -0.02
     8   1     0.22   0.19  -0.24    -0.11  -0.12   0.15    -0.10  -0.11   0.14
     9   6     0.00   0.00   0.00    -0.01  -0.00   0.01    -0.00  -0.00   0.01
    10   6     0.00   0.01  -0.01     0.02   0.03  -0.03     0.03   0.03  -0.05
    11   6     0.01   0.01  -0.01    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    12   6    -0.02   0.01  -0.01    -0.00   0.01  -0.00    -0.01  -0.00  -0.01
    13   6     0.00   0.00  -0.01     0.00  -0.00   0.01     0.00   0.00  -0.01
    14   6    -0.01  -0.01   0.02    -0.01  -0.03   0.02    -0.02  -0.02   0.05
    15   6    -0.01   0.00  -0.00    -0.00   0.02   0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00  -0.00     0.01   0.01  -0.02    -0.00   0.00  -0.01
    17   6     0.02   0.02  -0.03    -0.03  -0.03   0.05     0.00   0.00  -0.00
    18   6    -0.01  -0.02   0.05     0.02   0.03  -0.05    -0.00  -0.00   0.02
    19   6    -0.01  -0.01  -0.00     0.01   0.01  -0.00    -0.01  -0.00   0.02
    20   6    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    21   6     0.01   0.02  -0.06     0.00   0.02  -0.04     0.01   0.02  -0.05
    22   6     0.01  -0.02   0.05    -0.00  -0.02   0.05    -0.00  -0.02   0.04
    23   6    -0.00  -0.01   0.01     0.00  -0.01   0.01    -0.00   0.01  -0.02
    24   6     0.00  -0.00   0.00     0.01  -0.03   0.04     0.00   0.02  -0.07
    25   6    -0.00   0.00  -0.02    -0.00   0.03  -0.05    -0.00  -0.02   0.07
    26   6     0.00   0.00   0.01    -0.00  -0.00   0.01     0.00   0.00  -0.01
    27   6    -0.00   0.02  -0.04    -0.01   0.00  -0.04     0.00  -0.01   0.03
    28   6    -0.00  -0.02   0.04     0.01  -0.01   0.03    -0.00   0.01  -0.02
    29   6     0.01  -0.01  -0.00    -0.01   0.01   0.01     0.00   0.00  -0.01
    30   6     0.00   0.01  -0.02    -0.01  -0.00  -0.02     0.00  -0.01   0.02
    31   1    -0.04  -0.03   0.06    -0.12  -0.10   0.22    -0.19  -0.17   0.28
    32   1     0.08   0.05  -0.11     0.10   0.06  -0.16     0.16   0.14  -0.28
    33   1    -0.07  -0.09   0.24     0.11   0.12  -0.35    -0.01  -0.02   0.03
    34   1     0.11   0.13  -0.28    -0.12  -0.13   0.31     0.04   0.04  -0.08
    35   1    -0.06  -0.13   0.34    -0.04  -0.07   0.22    -0.04  -0.10   0.29
    36   1     0.09   0.11  -0.31     0.07   0.09  -0.29     0.06   0.09  -0.25
    37   1     0.01   0.01  -0.02     0.00   0.07  -0.31    -0.00  -0.13   0.40
    38   1    -0.01  -0.03   0.09    -0.00  -0.11   0.35    -0.03   0.14  -0.39
    39   1     0.05  -0.09   0.25     0.02  -0.09   0.20    -0.03   0.07  -0.17
    40   1    -0.05   0.10  -0.24    -0.02   0.08  -0.17     0.03  -0.06   0.15
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.03  -0.04   0.10     0.03  -0.05   0.07    -0.03   0.05  -0.12
                     61                     62                     63
                      A                      A                      A
 Frequencies --    969.1075               992.4140              1016.1116
 Red. masses --      1.3416                 1.3112                 5.2684
 Frc consts  --      0.7424                 0.7609                 3.2049
 IR Inten    --      0.0444                 0.7215                 6.8018
 RamAct Fr= 1--      0.8295                 1.3989                12.9675
  Dep-P Fr= 1--      0.6871                 0.3829                 0.5439
  Dep-U Fr= 1--      0.8145                 0.5537                 0.7046
 Alpha2 Fr= 1--      0.0009                 0.0110                 0.0513
 Beta2  Fr= 1--      0.1126                 0.1291                 1.5227
 AlphaG Fr= 1--     -0.0048                -0.2620                 0.0718
 Gamma2 Fr= 1--     -0.0048                -3.7145               -14.4731
 Delta2 Fr= 1--      0.6288                 0.3758                 0.2896
 Raman1 Fr= 1--       3.318                  5.596                 51.870
 ROA1   Fr= 1--      19.658               -344.566              -1380.149
 CID1   Fr= 1--       5.924                -61.577                -26.608
 Raman2 Fr= 1--       1.351                  1.549                 18.273
 ROA2   Fr= 1--      -5.146                -92.154               -349.671
 CID2   Fr= 1--      -3.808                -59.482                -19.136
 Raman3 Fr= 1--       2.703                  3.099                 36.546
 ROA3   Fr= 1--      19.658               -344.566              -1380.149
 CID3   Fr= 1--       7.273               -111.203                -37.765
 RC180  Fr= 1--       0.629                  0.107                  0.409
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02  -0.02   0.02     0.44   0.44  -0.42     0.07   0.12  -0.05
     2   6     0.00   0.01  -0.01    -0.05  -0.08   0.07    -0.02   0.01   0.03
     3   6     0.00   0.00  -0.01     0.05   0.05  -0.08     0.03   0.13   0.12
     4   1    -0.03  -0.04   0.03    -0.32  -0.37   0.37     0.03   0.07   0.18
     5   6    -0.01  -0.02   0.02    -0.03  -0.00   0.01     0.01  -0.01  -0.02
     6   1     0.10   0.10  -0.11     0.06   0.11  -0.10     0.02  -0.09  -0.02
     7   6     0.01   0.02  -0.02    -0.01   0.00   0.01     0.09  -0.10  -0.00
     8   1    -0.10  -0.09   0.12     0.01   0.01   0.03     0.11  -0.10   0.01
     9   6    -0.00  -0.00   0.01     0.01   0.01  -0.01    -0.00  -0.01  -0.00
    10   6     0.03   0.03  -0.05    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.01  -0.01   0.01     0.02   0.01  -0.00    -0.13   0.00  -0.14
    12   6     0.01   0.01  -0.01    -0.00   0.00   0.02    -0.14  -0.10  -0.15
    13   6     0.00   0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.04  -0.01
    14   6    -0.03  -0.03   0.05     0.00  -0.01  -0.00     0.00   0.07   0.03
    15   6    -0.00  -0.01   0.01     0.00  -0.00  -0.00     0.01  -0.05   0.07
    16   6    -0.00  -0.01   0.01    -0.00   0.00   0.00     0.01  -0.02  -0.00
    17   6     0.02   0.03  -0.05     0.00   0.00   0.00    -0.07  -0.04  -0.05
    18   6    -0.02  -0.03   0.06    -0.00  -0.01  -0.01     0.09   0.12   0.10
    19   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.23   0.01  -0.02
    20   6     0.00   0.00  -0.01     0.00   0.00  -0.00     0.03  -0.03   0.01
    21   6    -0.01  -0.02   0.05     0.00  -0.00   0.00    -0.15   0.07   0.01
    22   6     0.01   0.02  -0.05    -0.00  -0.00   0.00     0.06  -0.01  -0.00
    23   6    -0.00  -0.01   0.01     0.00  -0.00   0.01     0.15   0.08  -0.00
    24   6    -0.00  -0.01   0.04    -0.00   0.00   0.00    -0.03   0.05   0.01
    25   6     0.00   0.01  -0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.02   0.00
    27   6     0.00   0.01  -0.01    -0.00  -0.00  -0.00    -0.05  -0.13  -0.04
    28   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00     0.07   0.04   0.00
    29   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.15   0.09   0.07
    30   6     0.00   0.01  -0.01    -0.00   0.00  -0.01    -0.07  -0.02   0.00
    31   1    -0.19  -0.18   0.29     0.02   0.02  -0.02    -0.10  -0.08  -0.11
    32   1     0.18   0.16  -0.31     0.01  -0.01   0.00    -0.02   0.08   0.04
    33   1    -0.11  -0.11   0.32     0.00   0.02  -0.01    -0.02  -0.35  -0.06
    34   1     0.14   0.13  -0.32    -0.01  -0.01   0.01     0.25   0.08   0.11
    35   1     0.04   0.09  -0.29     0.00   0.00   0.00    -0.21   0.03  -0.06
    36   1    -0.07  -0.09   0.30    -0.00   0.00  -0.00     0.11  -0.29   0.01
    37   1     0.00   0.07  -0.23     0.00   0.00  -0.01    -0.02   0.07   0.02
    38   1     0.01  -0.07   0.21     0.00  -0.00   0.01     0.16  -0.04  -0.01
    39   1     0.02  -0.03   0.08     0.00  -0.00   0.01    -0.21  -0.10  -0.02
    40   1    -0.01   0.03  -0.06    -0.00   0.01  -0.01     0.08   0.01   0.02
    41  35    -0.00   0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
    42   1     0.02  -0.02   0.05     0.01  -0.01   0.03    -0.18  -0.01   0.05
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1063.0745              1074.6903              1105.5123
 Red. masses --      2.4499                 2.9125                 2.3834
 Frc consts  --      1.6313                 1.9819                 1.7162
 IR Inten    --      3.3335                 0.5562                15.2292
 RamAct Fr= 1--     21.0809                49.8724                53.8794
  Dep-P Fr= 1--      0.1852                 0.0785                 0.1459
  Dep-U Fr= 1--      0.3125                 0.1456                 0.2546
 Alpha2 Fr= 1--      0.2977                 0.9200                 0.8416
 Beta2  Fr= 1--      1.0980                 1.2101                 2.2865
 AlphaG Fr= 1--     -1.1656                 3.4463                -0.7363
 Gamma2 Fr= 1--     -2.4217               -13.8057                -7.5151
 Delta2 Fr= 1--     -0.7092                 3.5331                 2.4912
 Raman1 Fr= 1--      84.324                199.489                215.518
 ROA1   Fr= 1--    -255.175              -1212.288               -641.728
 CID1   Fr= 1--      -3.026                 -6.077                 -2.978
 Raman2 Fr= 1--      13.176                 14.521                 27.438
 ROA2   Fr= 1--     -52.446               -359.601               -200.291
 CID2   Fr= 1--      -3.980                -24.764                 -7.300
 Raman3 Fr= 1--      26.352                 29.042                 54.877
 ROA3   Fr= 1--    -255.175              -1212.288               -641.728
 CID3   Fr= 1--      -9.683                -41.742                -11.694
 RC180  Fr= 1--      -0.375                 -0.709                 -0.491
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.22   0.03  -0.42    -0.07  -0.11  -0.19    -0.02   0.02  -0.02
     2   6    -0.12   0.05  -0.03     0.02  -0.06  -0.04    -0.02   0.02   0.00
     3   6    -0.05   0.15   0.08    -0.04   0.09   0.04     0.00  -0.01  -0.01
     4   1    -0.27   0.23   0.05    -0.28   0.20  -0.02     0.04  -0.03   0.00
     5   6     0.18  -0.07   0.07     0.04  -0.01   0.02     0.01  -0.01   0.00
     6   1     0.29  -0.34  -0.05     0.03   0.03   0.05     0.04  -0.07  -0.03
     7   6    -0.00  -0.06  -0.05     0.07  -0.10  -0.03    -0.02   0.03   0.00
     8   1    -0.24  -0.25  -0.36    -0.04  -0.19  -0.16    -0.02   0.03   0.01
     9   6    -0.03  -0.01  -0.03    -0.04   0.04  -0.01     0.01  -0.02  -0.00
    10   6    -0.00   0.00   0.01     0.02  -0.00   0.01    -0.01   0.01   0.00
    11   6     0.03  -0.04  -0.03    -0.03   0.02   0.02     0.02  -0.02   0.00
    12   6     0.03  -0.05   0.02    -0.01   0.15   0.04     0.01  -0.03   0.01
    13   6     0.01  -0.01  -0.00     0.01   0.08   0.04     0.00  -0.02  -0.01
    14   6     0.01   0.03   0.02     0.01  -0.10  -0.04    -0.00   0.02   0.01
    15   6     0.03   0.02   0.00    -0.01   0.00  -0.01    -0.01   0.02  -0.00
    16   6    -0.00   0.01  -0.00     0.04   0.01   0.01    -0.02   0.00  -0.01
    17   6    -0.01  -0.00  -0.00    -0.02   0.00   0.00     0.01  -0.00   0.00
    18   6     0.00   0.01   0.01    -0.03  -0.07  -0.05     0.00   0.01   0.01
    19   6    -0.06   0.06   0.01     0.05  -0.14  -0.02    -0.01   0.03   0.01
    20   6    -0.02   0.03   0.01     0.05  -0.07  -0.02    -0.02   0.02   0.01
    21   6     0.05  -0.03  -0.00    -0.07   0.05   0.01     0.01  -0.01  -0.00
    22   6    -0.02   0.00  -0.00    -0.01  -0.01  -0.01     0.02   0.00   0.00
    23   6    -0.03  -0.00   0.02    -0.00  -0.05  -0.04     0.03  -0.05  -0.02
    24   6     0.03  -0.04  -0.01    -0.06   0.09   0.03     0.01  -0.02  -0.01
    25   6    -0.00   0.00  -0.00     0.01   0.01   0.01    -0.01   0.00   0.00
    26   6    -0.00   0.01   0.00     0.00  -0.04  -0.01     0.03   0.02   0.00
    27   6    -0.00   0.00   0.00     0.03   0.05   0.02     0.02  -0.08  -0.04
    28   6     0.01   0.01   0.01    -0.05  -0.06  -0.02    -0.14  -0.10  -0.03
    29   6     0.03  -0.02  -0.02    -0.03   0.03   0.02    -0.12   0.19   0.11
    30   6     0.00  -0.03  -0.02     0.02   0.09   0.05     0.09   0.06   0.02
    31   1    -0.01   0.00  -0.02     0.21   0.15   0.25    -0.06  -0.03  -0.06
    32   1     0.02   0.03   0.03    -0.08  -0.05  -0.09     0.06  -0.01   0.03
    33   1     0.00  -0.04  -0.01    -0.08   0.28   0.06     0.03  -0.08  -0.02
    34   1     0.00   0.01   0.00     0.06  -0.12  -0.01    -0.07   0.04  -0.02
    35   1     0.07  -0.01   0.01     0.02   0.13   0.03    -0.05  -0.07  -0.03
    36   1    -0.06   0.13   0.02     0.06  -0.26  -0.06    -0.01   0.08   0.03
    37   1     0.04  -0.03  -0.01    -0.13   0.02   0.01     0.04   0.01   0.00
    38   1    -0.13   0.02   0.02     0.30  -0.04  -0.05    -0.16   0.03   0.02
    39   1    -0.02   0.00   0.01     0.13   0.04  -0.00     0.47  -0.15  -0.12
    40   1    -0.01   0.08   0.03     0.01  -0.26  -0.12    -0.09  -0.29  -0.11
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    42   1     0.03  -0.05  -0.00     0.07   0.12  -0.02     0.61   0.06  -0.22
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1124.4652              1147.3298              1170.5284
 Red. masses --      3.1012                 1.7852                 1.3741
 Frc consts  --      2.3104                 1.3845                 1.1093
 IR Inten    --      4.0035                 9.9911                 4.3620
 RamAct Fr= 1--     24.2550                 1.1351                 7.4667
  Dep-P Fr= 1--      0.1272                 0.4582                 0.7386
  Dep-U Fr= 1--      0.2257                 0.6285                 0.8497
 Alpha2 Fr= 1--      0.3970                 0.0067                 0.0014
 Beta2  Fr= 1--      0.9126                 0.1189                 1.0574
 AlphaG Fr= 1--      0.0451                -0.0538                -0.0110
 Gamma2 Fr= 1--      6.8673                 1.0270                -7.7728
 Delta2 Fr= 1--      3.6894                 0.3945                 1.0516
 Raman1 Fr= 1--      97.020                  4.541                 29.867
 ROA1   Fr= 1--     777.320                111.217               -712.533
 CID1   Fr= 1--       8.012                 24.494                -23.857
 Raman2 Fr= 1--      10.951                  1.427                 12.688
 ROA2   Fr= 1--     135.299                 21.493               -194.959
 CID2   Fr= 1--      12.355                 15.064                -15.365
 Raman3 Fr= 1--      21.902                  2.853                 25.377
 ROA3   Fr= 1--     777.320                111.217               -712.533
 CID3   Fr= 1--      35.490                 38.976                -28.078
 RC180  Fr= 1--      -0.549                  0.257                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.18   0.09   0.23     0.12  -0.03   0.13    -0.12  -0.04  -0.16
     2   6     0.03  -0.02   0.02     0.07  -0.06   0.01    -0.04   0.01  -0.02
     3   6     0.02   0.02   0.03    -0.02   0.02   0.00     0.03  -0.01   0.01
     4   1     0.05   0.00   0.05    -0.22   0.12  -0.07     0.22  -0.12   0.09
     5   6    -0.04   0.01  -0.02    -0.02   0.03   0.01     0.00   0.00   0.00
     6   1    -0.08   0.11   0.03    -0.14   0.33   0.17     0.03  -0.06  -0.03
     7   6     0.06  -0.04   0.02     0.05  -0.08  -0.02    -0.02   0.02   0.00
     8   1     0.14   0.02   0.12    -0.04  -0.15  -0.15    -0.02   0.03   0.00
     9   6    -0.03   0.01  -0.01    -0.05   0.05  -0.01     0.03  -0.00   0.03
    10   6     0.01  -0.01   0.00     0.03  -0.04  -0.00    -0.02   0.00  -0.01
    11   6    -0.12   0.02  -0.11    -0.04   0.05   0.01     0.02  -0.02   0.01
    12   6    -0.04  -0.08  -0.03     0.03  -0.01   0.00    -0.04   0.03  -0.02
    13   6    -0.00  -0.02  -0.01     0.01   0.02   0.01    -0.03   0.03  -0.01
    14   6    -0.00   0.02   0.01    -0.01   0.01   0.00     0.02  -0.03  -0.00
    15   6     0.18   0.04   0.06     0.02  -0.08  -0.00    -0.01  -0.04  -0.01
    16   6     0.11   0.02   0.04     0.00  -0.02  -0.01     0.03  -0.03   0.00
    17   6    -0.11  -0.05  -0.05     0.01   0.02   0.01    -0.02   0.03   0.01
    18   6     0.04   0.03   0.03    -0.01  -0.02  -0.01     0.04  -0.02   0.01
    19   6    -0.07   0.06  -0.01    -0.01  -0.00  -0.01     0.01   0.00  -0.00
    20   6    -0.01   0.01   0.00    -0.03   0.03   0.00     0.03   0.01  -0.00
    21   6     0.06  -0.01   0.01     0.03  -0.02  -0.00    -0.02  -0.01  -0.01
    22   6    -0.12   0.00  -0.03    -0.02   0.02   0.00    -0.02   0.02   0.00
    23   6    -0.14  -0.08   0.01     0.01   0.04   0.02    -0.04   0.01   0.02
    24   6     0.01  -0.02  -0.01     0.02  -0.00   0.00    -0.03   0.00  -0.00
    25   6     0.01   0.02   0.01    -0.01  -0.04  -0.02     0.03  -0.02  -0.01
    26   6    -0.03  -0.03  -0.01     0.02   0.07   0.02    -0.01   0.03   0.01
    27   6     0.04   0.07   0.02    -0.01  -0.07  -0.03     0.04  -0.03  -0.02
    28   6    -0.04  -0.03  -0.01    -0.01   0.03   0.01    -0.02   0.04   0.02
    29   6     0.05  -0.03  -0.02    -0.02   0.03   0.02    -0.00  -0.00  -0.00
    30   6     0.04   0.03   0.00    -0.01  -0.06  -0.03    -0.01  -0.03  -0.01
    31   1     0.00  -0.02  -0.01     0.14   0.05   0.11    -0.07  -0.04  -0.08
    32   1    -0.06   0.05  -0.02    -0.27   0.14  -0.09     0.18  -0.12   0.06
    33   1    -0.11  -0.03  -0.05    -0.02   0.15   0.05    -0.09   0.35   0.08
    34   1     0.44  -0.13   0.15    -0.03  -0.01  -0.02     0.36  -0.15   0.11
    35   1     0.37   0.28   0.13    -0.01  -0.05  -0.02    -0.04  -0.03   0.00
    36   1    -0.12  -0.02  -0.03    -0.08   0.21   0.04    -0.02   0.06  -0.01
    37   1    -0.06  -0.09  -0.02     0.24   0.23   0.08    -0.12  -0.09  -0.02
    38   1     0.00   0.02   0.01    -0.26   0.00   0.01     0.22  -0.06  -0.04
    39   1     0.15   0.06   0.00     0.20  -0.11  -0.07     0.40  -0.09  -0.10
    40   1     0.00  -0.13  -0.06    -0.11   0.33   0.17    -0.15   0.40   0.20
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    42   1     0.31  -0.00  -0.06     0.05  -0.07  -0.03     0.02  -0.04  -0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1172.0035              1181.8128              1183.1430
 Red. masses --      1.3159                 1.1975                 1.1735
 Frc consts  --      1.0649                 0.9854                 0.9678
 IR Inten    --      3.0158                 2.7022                 0.7606
 RamAct Fr= 1--      3.5192                15.1238                12.7443
  Dep-P Fr= 1--      0.5416                 0.1323                 0.2393
  Dep-U Fr= 1--      0.7026                 0.2338                 0.3862
 Alpha2 Fr= 1--      0.0141                 0.2444                 0.1556
 Beta2  Fr= 1--      0.4121                 0.5892                 0.8204
 AlphaG Fr= 1--      0.0100                -0.6229                -0.4065
 Gamma2 Fr= 1--     -2.8393                 2.9030                -2.5935
 Delta2 Fr= 1--      0.7178                 0.6144                 0.8360
 Raman1 Fr= 1--      14.077                 60.495                 50.977
 ROA1   Fr= 1--    -249.606                298.347               -222.226
 CID1   Fr= 1--     -17.732                  4.932                 -4.359
 Raman2 Fr= 1--       4.946                  7.070                  9.844
 ROA2   Fr= 1--     -73.887                 64.756                -68.932
 CID2   Fr= 1--     -14.940                  9.159                 -7.002
 Raman3 Fr= 1--       9.891                 14.141                 19.689
 ROA3   Fr= 1--    -249.606                298.347               -222.226
 CID3   Fr= 1--     -25.236                 21.098                -11.287
 RC180  Fr= 1--       0.405                 -0.532                 -0.228
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04  -0.02   0.04    -0.09  -0.04  -0.14     0.03   0.03   0.03
     2   6     0.03  -0.02   0.00    -0.02   0.00  -0.02    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.02  -0.00   0.02    -0.01   0.01   0.00
     4   1    -0.06   0.02  -0.02     0.22  -0.11   0.10    -0.05   0.03  -0.02
     5   6    -0.01   0.04   0.03    -0.01   0.00   0.00    -0.00  -0.03  -0.02
     6   1    -0.14   0.39   0.21    -0.01   0.03   0.01     0.07  -0.22  -0.13
     7   6    -0.01  -0.04  -0.04    -0.00   0.01   0.00     0.02   0.01   0.03
     8   1    -0.21  -0.20  -0.33    -0.02   0.00  -0.01     0.15   0.11   0.21
     9   6    -0.01   0.02   0.01     0.01   0.01   0.02    -0.01   0.01  -0.00
    10   6    -0.02  -0.02  -0.02    -0.00  -0.00  -0.00     0.03  -0.00   0.01
    11   6     0.01   0.03   0.03     0.00  -0.01  -0.01    -0.02  -0.01  -0.02
    12   6    -0.00   0.00  -0.01    -0.02  -0.01  -0.02     0.01  -0.02   0.00
    13   6    -0.02  -0.02  -0.02    -0.01   0.03   0.01     0.00   0.01   0.00
    14   6     0.03   0.02   0.02     0.00  -0.02  -0.01    -0.03   0.00  -0.02
    15   6     0.02  -0.01   0.01    -0.00  -0.03  -0.00     0.02  -0.01   0.01
    16   6    -0.01  -0.03  -0.01     0.01   0.00   0.00    -0.01   0.00  -0.00
    17   6     0.00   0.01   0.01    -0.02   0.03   0.01     0.00   0.01   0.00
    18   6     0.02   0.01   0.01     0.02  -0.03  -0.00    -0.00  -0.01  -0.00
    19   6     0.02   0.04   0.01     0.00  -0.01  -0.00     0.02   0.01   0.00
    20   6     0.02   0.02   0.01    -0.01   0.02   0.00    -0.01   0.01   0.00
    21   6    -0.02  -0.02  -0.01     0.01  -0.02  -0.01    -0.01  -0.04  -0.02
    22   6     0.00   0.03   0.01    -0.01   0.01   0.00     0.01   0.04   0.02
    23   6    -0.01  -0.01   0.00     0.03  -0.01  -0.01    -0.00   0.01   0.00
    24   6    -0.01  -0.03  -0.01     0.04   0.00   0.00    -0.02  -0.02  -0.01
    25   6     0.02   0.02   0.01    -0.03  -0.01  -0.00     0.03   0.02   0.01
    26   6    -0.03  -0.03  -0.00    -0.00   0.01   0.00    -0.01  -0.02  -0.00
    27   6     0.01   0.03   0.01    -0.04   0.01   0.01     0.01   0.01   0.00
    28   6     0.00  -0.01  -0.00     0.03  -0.03  -0.02    -0.00   0.00   0.00
    29   6    -0.01  -0.01  -0.00    -0.00   0.01   0.01    -0.01  -0.01  -0.00
    30   6     0.02   0.03   0.00     0.01   0.01   0.00     0.01   0.01   0.00
    31   1    -0.18  -0.16  -0.22     0.02   0.02   0.02     0.21   0.15   0.23
    32   1     0.21  -0.08   0.10    -0.02  -0.02  -0.00    -0.31   0.14  -0.12
    33   1     0.02  -0.01  -0.02    -0.10   0.37   0.10    -0.00   0.04   0.01
    34   1    -0.00   0.01   0.02     0.36  -0.16   0.09     0.01  -0.02  -0.00
    35   1    -0.22  -0.21  -0.09    -0.09  -0.11  -0.05    -0.30  -0.31  -0.14
    36   1    -0.07   0.27   0.06    -0.06   0.18   0.04    -0.11   0.44   0.12
    37   1    -0.20  -0.24  -0.07     0.24   0.22   0.07    -0.19  -0.21  -0.06
    38   1     0.21  -0.02  -0.02    -0.34   0.06   0.03     0.25  -0.03  -0.02
    39   1    -0.09   0.04   0.03    -0.33   0.05   0.08    -0.01   0.01   0.00
    40   1     0.07  -0.19  -0.09     0.13  -0.32  -0.16     0.02  -0.05  -0.02
    41  35     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.03   0.02   0.01    -0.00   0.02  -0.00     0.01   0.01   0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1188.2491              1210.7502              1219.5259
 Red. masses --      1.2217                 3.3310                 1.8274
 Frc consts  --      1.0163                 2.8770                 1.6012
 IR Inten    --      0.9620                 0.2533                 1.8968
 RamAct Fr= 1--      7.2381                24.6274               189.1577
  Dep-P Fr= 1--      0.3004                 0.1330                 0.0793
  Dep-U Fr= 1--      0.4620                 0.2348                 0.1469
 Alpha2 Fr= 1--      0.0742                 0.3974                 3.4831
 Beta2  Fr= 1--      0.5573                 0.9638                 4.6313
 AlphaG Fr= 1--     -0.1274                -0.2227                -0.9868
 Gamma2 Fr= 1--      0.9085                 4.3411                55.9028
 Delta2 Fr= 1--      2.1771                -4.8839               -12.0537
 Raman1 Fr= 1--      28.952                 98.510                756.631
 ROA1   Fr= 1--     156.888                260.459               4980.948
 CID1   Fr= 1--       5.419                  2.644                  6.583
 Raman2 Fr= 1--       6.688                 11.566                 55.576
 ROA2   Fr= 1--       4.388                143.257               1438.096
 CID2   Fr= 1--       0.656                 12.386                 25.876
 Raman3 Fr= 1--      13.376                 23.131                111.151
 ROA3   Fr= 1--     156.888                260.459               4980.948
 CID3   Fr= 1--      11.729                 11.260                 44.812
 RC180  Fr= 1--      -0.076                 -0.530                 -0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.18  -0.11  -0.31    -0.02   0.01  -0.02    -0.04  -0.00  -0.04
     2   6    -0.03   0.00  -0.02     0.00   0.02   0.02    -0.02   0.01  -0.01
     3   6     0.04  -0.01   0.02     0.01   0.00   0.01     0.01   0.00   0.01
     4   1     0.45  -0.23   0.19     0.28  -0.13   0.10     0.10  -0.04   0.05
     5   6    -0.01   0.02   0.01     0.01   0.02   0.02     0.01   0.00   0.01
     6   1    -0.10   0.26   0.13    -0.13   0.38   0.21     0.01  -0.00   0.01
     7   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
     8   1    -0.13  -0.09  -0.18    -0.11  -0.09  -0.15     0.05   0.03   0.06
     9   6     0.00   0.04   0.03    -0.03  -0.03  -0.05    -0.00  -0.02  -0.02
    10   6     0.04  -0.02   0.01    -0.03   0.04   0.01    -0.00  -0.00  -0.00
    11   6     0.03  -0.03   0.01    -0.00  -0.04  -0.05    -0.02  -0.00  -0.02
    12   6    -0.02  -0.02  -0.02     0.04  -0.10   0.01    -0.02   0.09   0.02
    13   6    -0.04   0.03  -0.01     0.12  -0.04   0.05    -0.08   0.04  -0.02
    14   6    -0.02  -0.01  -0.02    -0.00   0.04   0.01     0.01  -0.03  -0.01
    15   6     0.02  -0.00   0.01    -0.04   0.12  -0.01     0.13   0.04   0.05
    16   6     0.00  -0.02  -0.00    -0.04   0.19   0.04    -0.02   0.03   0.00
    17   6     0.03  -0.02   0.00    -0.06  -0.02  -0.03     0.01  -0.02   0.00
    18   6    -0.01   0.03   0.01    -0.01  -0.06  -0.03    -0.01   0.01   0.01
    19   6    -0.00   0.02   0.00    -0.08  -0.06   0.00     0.03  -0.11  -0.02
    20   6     0.01   0.01   0.00    -0.13  -0.12  -0.03    -0.08  -0.08  -0.03
    21   6    -0.00   0.01   0.00     0.07  -0.05  -0.01     0.02  -0.02  -0.01
    22   6    -0.01  -0.01  -0.00     0.08   0.00   0.02     0.02   0.02   0.01
    23   6    -0.01  -0.00   0.00     0.09   0.01  -0.02    -0.02  -0.03  -0.01
    24   6    -0.00  -0.01  -0.00    -0.04   0.04   0.01    -0.01   0.04   0.01
    25   6     0.00   0.00   0.00     0.02   0.07   0.03    -0.00   0.01   0.00
    26   6    -0.01  -0.01  -0.00     0.14  -0.04  -0.03    -0.01   0.01   0.00
    27   6     0.01   0.00   0.00    -0.01  -0.03  -0.01     0.01   0.01   0.00
    28   6    -0.00   0.00   0.00    -0.04  -0.01   0.00     0.01   0.00   0.00
    29   6     0.00  -0.00  -0.00     0.02   0.04   0.02     0.01  -0.01  -0.01
    30   6     0.00   0.00  -0.00    -0.04  -0.00   0.01    -0.02  -0.00   0.00
    31   1     0.23   0.14   0.22    -0.06   0.02  -0.02    -0.01  -0.01  -0.01
    32   1    -0.32   0.12  -0.11    -0.09   0.09  -0.02     0.35  -0.20   0.10
    33   1     0.10  -0.27  -0.07    -0.12   0.12   0.05     0.13  -0.43  -0.15
    34   1    -0.16   0.09  -0.03     0.28  -0.17   0.01    -0.10   0.05  -0.01
    35   1     0.07   0.08   0.04     0.02  -0.10  -0.06    -0.11  -0.15  -0.08
    36   1     0.02  -0.08  -0.02     0.06   0.05   0.07    -0.11   0.42   0.15
    37   1    -0.05  -0.06  -0.02    -0.18  -0.09  -0.06     0.27   0.34   0.12
    38   1     0.04  -0.01  -0.01     0.25   0.03   0.02    -0.04   0.02   0.01
    39   1     0.03   0.00  -0.00    -0.01  -0.04  -0.01     0.13  -0.01  -0.02
    40   1    -0.00  -0.00  -0.00    -0.12   0.23   0.12    -0.03   0.11   0.05
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.03  -0.00  -0.01    -0.22   0.02   0.05    -0.03  -0.00   0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1231.0131              1239.9966              1247.4342
 Red. masses --      2.4541                 2.3111                 1.9393
 Frc consts  --      2.1911                 2.0937                 1.7780
 IR Inten    --      1.8501                 0.1697                 1.3616
 RamAct Fr= 1--     92.7608                71.2346                 5.7311
  Dep-P Fr= 1--      0.2758                 0.1926                 0.7454
  Dep-U Fr= 1--      0.4324                 0.3229                 0.8541
 Alpha2 Fr= 1--      1.0215                 0.9866                 0.0004
 Beta2  Fr= 1--      6.6849                 3.8339                 0.8158
 AlphaG Fr= 1--     -1.3616                -2.1102                 0.0068
 Gamma2 Fr= 1--    -11.9832                 1.0136               -29.1996
 Delta2 Fr= 1--    -16.8751                -5.2175                -3.1870
 Raman1 Fr= 1--     371.043                284.938                 22.924
 ROA1   Fr= 1--   -1690.390                -69.660              -2905.145
 CID1   Fr= 1--      -4.556                 -0.244               -126.727
 Raman2 Fr= 1--      80.218                 46.007                  9.790
 ROA2   Fr= 1--    -152.597                 66.066               -675.294
 CID2   Fr= 1--      -1.902                  1.436                -68.977
 Raman3 Fr= 1--     160.437                 92.014                 19.580
 ROA3   Fr= 1--   -1690.390                -69.660              -2905.145
 CID3   Fr= 1--     -10.536                 -0.757               -148.371
 RC180  Fr= 1--      -0.135                 -0.354                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04   0.05   0.06     0.10   0.02   0.14    -0.08  -0.10  -0.16
     2   6     0.00   0.02   0.02     0.02  -0.02  -0.01     0.00  -0.04  -0.03
     3   6    -0.01  -0.00  -0.01    -0.01  -0.01  -0.02     0.01  -0.00   0.01
     4   1     0.02  -0.02   0.00    -0.38   0.17  -0.15     0.02  -0.01   0.02
     5   6     0.01   0.00   0.01    -0.04   0.00  -0.03    -0.03   0.00  -0.02
     6   1    -0.04   0.14   0.08     0.07  -0.28  -0.18     0.04  -0.16  -0.11
     7   6    -0.01   0.01  -0.00    -0.03   0.01  -0.02    -0.00   0.01   0.01
     8   1    -0.07  -0.04  -0.08    -0.20  -0.10  -0.24    -0.05  -0.02  -0.07
     9   6    -0.01  -0.03  -0.03     0.10   0.09   0.14     0.04   0.07   0.08
    10   6    -0.01   0.02   0.01     0.05  -0.06  -0.01    -0.00  -0.01  -0.01
    11   6     0.03  -0.04  -0.01     0.07   0.03   0.09    -0.02   0.05   0.03
    12   6     0.02  -0.05  -0.00    -0.05  -0.06  -0.07    -0.01  -0.01  -0.01
    13   6     0.05  -0.02   0.02    -0.12   0.04  -0.05     0.08  -0.03   0.03
    14   6    -0.01   0.02   0.00    -0.01  -0.04  -0.03     0.01  -0.00  -0.00
    15   6    -0.04   0.07  -0.01     0.01   0.03   0.01    -0.01   0.02   0.01
    16   6    -0.04   0.15   0.04    -0.02   0.08   0.02    -0.01   0.04   0.01
    17   6    -0.04  -0.02  -0.02     0.00  -0.00   0.01    -0.03  -0.01  -0.01
    18   6    -0.01  -0.04  -0.02     0.02   0.01   0.02    -0.01  -0.03  -0.02
    19   6     0.12  -0.05  -0.01    -0.02  -0.01  -0.00     0.01  -0.01  -0.00
    20   6     0.09   0.09   0.03    -0.02  -0.02  -0.00    -0.08  -0.07  -0.03
    21   6    -0.02  -0.01   0.00     0.02  -0.01  -0.00     0.03  -0.02  -0.01
    22   6     0.01  -0.01   0.01     0.03   0.00   0.01     0.03   0.00   0.01
    23   6    -0.10  -0.06  -0.01     0.01  -0.03  -0.02    -0.02   0.07   0.04
    24   6     0.05  -0.03  -0.01    -0.01   0.01   0.01     0.00  -0.01  -0.01
    25   6    -0.02  -0.05  -0.02    -0.00   0.03   0.01     0.01  -0.02  -0.01
    26   6    -0.14   0.02   0.03     0.07  -0.03  -0.02    -0.13   0.05   0.04
    27   6     0.04   0.04   0.01     0.00  -0.00  -0.00    -0.01   0.01   0.01
    28   6     0.03   0.03   0.01    -0.02  -0.01  -0.00     0.04   0.02   0.00
    29   6    -0.00  -0.04  -0.02     0.02   0.01   0.00    -0.01  -0.01  -0.00
    30   6    -0.00   0.02   0.01    -0.02   0.02   0.01     0.04  -0.04  -0.03
    31   1     0.04   0.07   0.07     0.03  -0.09  -0.05    -0.24  -0.21  -0.27
    32   1    -0.09   0.06  -0.02    -0.22   0.03  -0.07    -0.25   0.12  -0.08
    33   1    -0.02  -0.17  -0.05     0.08  -0.26  -0.09    -0.05   0.04   0.01
    34   1     0.16  -0.10   0.01     0.42  -0.14   0.11    -0.13   0.02  -0.05
    35   1    -0.41  -0.37  -0.20    -0.02  -0.06  -0.03     0.15   0.08   0.05
    36   1     0.12  -0.34  -0.09     0.07  -0.13  -0.02     0.02   0.05   0.03
    37   1     0.20   0.11   0.08    -0.05  -0.02  -0.02     0.23   0.23   0.09
    38   1    -0.22  -0.01  -0.00    -0.13   0.06   0.03     0.49  -0.12  -0.06
    39   1     0.37   0.00  -0.06    -0.02  -0.00   0.01     0.11   0.00  -0.02
    40   1     0.03   0.05   0.02    -0.06   0.10   0.05     0.12  -0.21  -0.11
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.02   0.01   0.01    -0.09   0.03   0.02     0.19  -0.06  -0.07
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1251.9930              1284.1098              1301.5206
 Red. masses --      1.8045                 1.6988                 1.5871
 Frc consts  --      1.6665                 1.6504                 1.5840
 IR Inten    --      1.2190                 6.4464                 1.2314
 RamAct Fr= 1--     91.8513                 9.1001                 3.3799
  Dep-P Fr= 1--      0.1150                 0.7101                 0.3409
  Dep-U Fr= 1--      0.2064                 0.8305                 0.5085
 Alpha2 Fr= 1--      1.5497                 0.0063                 0.0306
 Beta2  Fr= 1--      3.1590                 1.2596                 0.2864
 AlphaG Fr= 1--      2.5660                -0.0346                 0.2314
 Gamma2 Fr= 1--    -30.7715               -12.8855                 0.8481
 Delta2 Fr= 1--    -13.4675               -12.4626                 1.5879
 Raman1 Fr= 1--     367.405                 36.400                 13.520
 ROA1   Fr= 1--   -3385.025              -1635.810                132.226
 CID1   Fr= 1--      -9.213                -44.939                  9.780
 Raman2 Fr= 1--      37.908                 15.115                  3.437
 ROA2   Fr= 1--    -630.776               -209.552                  7.651
 CID2   Fr= 1--     -16.640                -13.863                  2.226
 Raman3 Fr= 1--      75.816                 30.231                  6.875
 ROA3   Fr= 1--   -3385.025              -1635.810                132.226
 CID3   Fr= 1--     -44.648                -54.111                 19.234
 RC180  Fr= 1--      -0.587                  0.661                  0.017
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.13   0.14   0.27    -0.16  -0.15  -0.28     0.16   0.15   0.29
     2   6     0.01   0.05   0.05     0.00  -0.03  -0.02    -0.01   0.02   0.01
     3   6    -0.03  -0.00  -0.02     0.02  -0.01   0.01    -0.02   0.01  -0.00
     4   1    -0.15   0.06  -0.07     0.01  -0.00   0.00     0.07  -0.03   0.03
     5   6     0.02   0.00   0.02     0.01  -0.00   0.00    -0.01   0.01  -0.00
     6   1    -0.04   0.15   0.10     0.01   0.01   0.01     0.01  -0.05  -0.03
     7   6    -0.02   0.00  -0.01     0.02  -0.02  -0.00    -0.01   0.02   0.01
     8   1    -0.05  -0.03  -0.05     0.21   0.11   0.25    -0.21  -0.12  -0.25
     9   6    -0.02  -0.07  -0.06    -0.05   0.02  -0.03     0.06  -0.02   0.03
    10   6     0.01   0.01   0.01     0.00  -0.03  -0.01    -0.01   0.03   0.01
    11   6     0.07  -0.07  -0.00    -0.03   0.08   0.04     0.01  -0.08  -0.05
    12   6    -0.01  -0.03  -0.02     0.03   0.01   0.02    -0.02   0.03   0.00
    13   6    -0.10   0.04  -0.03    -0.03   0.02  -0.01     0.04   0.00   0.02
    14   6    -0.01   0.00  -0.00     0.01   0.00   0.01    -0.01  -0.02  -0.01
    15   6    -0.05  -0.01  -0.02     0.01  -0.07  -0.01    -0.01   0.02   0.00
    16   6    -0.02   0.01  -0.00    -0.03   0.11   0.03     0.01  -0.02  -0.00
    17   6     0.03   0.01   0.02    -0.01   0.01   0.01    -0.01  -0.01  -0.01
    18   6     0.01   0.02   0.02    -0.02  -0.03  -0.02     0.00  -0.00  -0.00
    19   6    -0.02   0.01   0.01    -0.03  -0.00  -0.01     0.05  -0.03  -0.01
    20   6    -0.04  -0.04  -0.02     0.02   0.03   0.01     0.03  -0.03  -0.01
    21   6     0.02  -0.01  -0.00     0.03  -0.02  -0.00    -0.02   0.01  -0.00
    22   6     0.03  -0.00   0.01    -0.00   0.02   0.01     0.00   0.01   0.00
    23   6     0.01   0.08   0.03    -0.03   0.09   0.04    -0.09   0.04   0.03
    24   6    -0.00  -0.01  -0.00    -0.02   0.00   0.00    -0.04   0.03   0.01
    25   6     0.01  -0.02  -0.01     0.02  -0.03  -0.01     0.02  -0.01  -0.00
    26   6    -0.08   0.05   0.03     0.06   0.04   0.01     0.07   0.03   0.00
    27   6    -0.02  -0.01   0.00    -0.01  -0.03  -0.01     0.02  -0.01  -0.01
    28   6     0.02   0.01  -0.00    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00
    29   6    -0.02   0.00   0.00    -0.01  -0.02  -0.01    -0.02  -0.06  -0.02
    30   6     0.04  -0.04  -0.03     0.02  -0.03  -0.02    -0.00   0.00   0.00
    31   1     0.29   0.25   0.33    -0.00  -0.03  -0.02    -0.03   0.01  -0.01
    32   1     0.17  -0.09   0.05     0.18  -0.08   0.06    -0.11   0.03  -0.05
    33   1     0.04  -0.03   0.00     0.07  -0.30  -0.10    -0.03   0.09   0.03
    34   1     0.32  -0.09   0.09     0.15  -0.10   0.02    -0.15   0.05  -0.04
    35   1     0.17   0.12   0.07    -0.10  -0.15  -0.07    -0.06  -0.03  -0.02
    36   1     0.05  -0.07  -0.01     0.10  -0.29  -0.08    -0.01   0.06   0.02
    37   1     0.10   0.10   0.03    -0.15  -0.14  -0.05    -0.02   0.05   0.02
    38   1     0.41  -0.10  -0.05     0.03  -0.03  -0.01    -0.08   0.02   0.01
    39   1    -0.02  -0.00  -0.00    -0.38   0.02   0.06    -0.43   0.05   0.08
    40   1     0.10  -0.20  -0.10    -0.02   0.02   0.01    -0.08   0.20   0.10
    41  35    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.14  -0.05  -0.06     0.39  -0.07  -0.13     0.58  -0.05  -0.17
                     82                     83                     84
                      A                      A                      A
 Frequencies --   1321.7910              1362.5774              1364.5080
 Red. masses --      2.4493                 5.3989                 5.0455
 Frc consts  --      2.5213                 5.9058                 5.5349
 IR Inten    --      8.0259                 1.6483                 2.8912
 RamAct Fr= 1--      5.4510               148.4609               108.3844
  Dep-P Fr= 1--      0.2311                 0.6272                 0.6260
  Dep-U Fr= 1--      0.3754                 0.7709                 0.7700
 Alpha2 Fr= 1--      0.0681                 0.3319                 0.2449
 Beta2  Fr= 1--      0.3410                19.0753                13.9089
 AlphaG Fr= 1--     -0.0805                -4.0669                -3.5472
 Gamma2 Fr= 1--      6.5365              -376.9559              -232.3353
 Delta2 Fr= 1--     -2.0067               -60.4986               -33.8157
 Raman1 Fr= 1--      21.804                593.844                433.538
 ROA1   Fr= 1--     563.292             -38123.720             -23386.291
 CID1   Fr= 1--      25.834                -64.198                -53.943
 Raman2 Fr= 1--       4.092                228.904                166.907
 ROA2   Fr= 1--     172.930              -8562.952              -5305.522
 CID2   Fr= 1--      42.257                -37.408                -31.787
 Raman3 Fr= 1--       8.185                457.808                333.814
 ROA3   Fr= 1--     563.292             -38123.720             -23386.291
 CID3   Fr= 1--      68.823                -83.274                -70.058
 RC180  Fr= 1--      -0.249                  0.542                  0.540
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.21  -0.16  -0.35    -0.12  -0.08  -0.20    -0.03  -0.09  -0.18
     2   6     0.02   0.01   0.02     0.03   0.03   0.05     0.11   0.01   0.11
     3   6     0.02  -0.04  -0.02    -0.02  -0.01  -0.03    -0.13   0.07  -0.05
     4   1    -0.26   0.09  -0.12    -0.15   0.05  -0.08     0.19  -0.08   0.05
     5   6     0.03  -0.00   0.02     0.02  -0.04  -0.02     0.01  -0.14  -0.11
     6   1    -0.03   0.15   0.10    -0.04   0.12   0.06    -0.07   0.05  -0.01
     7   6    -0.03  -0.02  -0.04    -0.00   0.01   0.01     0.12   0.07   0.15
     8   1     0.21   0.15   0.28     0.07   0.07   0.11    -0.00  -0.02   0.05
     9   6    -0.05  -0.03  -0.06    -0.05   0.03  -0.01    -0.20   0.25   0.01
    10   6    -0.03  -0.00  -0.01    -0.01  -0.01  -0.01     0.08  -0.10  -0.01
    11   6     0.09   0.06   0.13     0.08  -0.02   0.05     0.00  -0.12  -0.09
    12   6    -0.07  -0.04  -0.07    -0.06  -0.04  -0.05     0.14  -0.07   0.07
    13   6     0.01  -0.08  -0.03     0.00  -0.04  -0.02    -0.10   0.04  -0.03
    14   6     0.02   0.06   0.04     0.02   0.01   0.02    -0.02  -0.00  -0.01
    15   6    -0.03   0.04   0.01     0.01   0.13   0.02    -0.07   0.08  -0.02
    16   6    -0.01  -0.04  -0.01     0.10  -0.05   0.01    -0.10  -0.06  -0.05
    17   6    -0.02   0.01  -0.00    -0.02  -0.04  -0.02     0.08   0.00   0.03
    18   6     0.04   0.02   0.02     0.01   0.05   0.03    -0.03   0.04   0.01
    19   6     0.11   0.05   0.01    -0.06  -0.08  -0.01     0.09  -0.00   0.01
    20   6    -0.03  -0.08  -0.03     0.12   0.00   0.01    -0.04   0.00  -0.00
    21   6    -0.04  -0.01  -0.01    -0.03   0.04   0.01    -0.01   0.04   0.01
    22   6     0.05   0.00   0.01    -0.05  -0.01  -0.02     0.05  -0.05  -0.01
    23   6    -0.07  -0.05  -0.00    -0.00  -0.13  -0.05    -0.01  -0.03  -0.02
    24   6    -0.03   0.01   0.00    -0.00   0.02   0.01    -0.01  -0.02  -0.01
    25   6     0.01   0.05   0.02    -0.02  -0.11  -0.04    -0.00   0.03   0.01
    26   6     0.02  -0.06  -0.02     0.08   0.30   0.09    -0.02  -0.02  -0.01
    27   6     0.05   0.03   0.00    -0.19   0.02   0.03     0.03   0.02   0.01
    28   6    -0.01   0.00   0.00     0.10  -0.16  -0.09     0.01  -0.01  -0.00
    29   6    -0.02  -0.06  -0.02     0.17   0.12   0.03    -0.04  -0.05  -0.02
    30   6    -0.01   0.05   0.02    -0.19  -0.05   0.02    -0.02   0.04   0.02
    31   1     0.09   0.11   0.11    -0.05  -0.03  -0.06    -0.18  -0.33  -0.32
    32   1    -0.13   0.13  -0.00    -0.10   0.07  -0.02     0.22  -0.12   0.05
    33   1    -0.05   0.15   0.04    -0.04   0.03   0.01     0.05   0.17   0.08
    34   1     0.03   0.02   0.03    -0.04   0.07   0.02     0.22  -0.04   0.06
    35   1     0.14   0.15   0.08    -0.21  -0.11  -0.07     0.07   0.11   0.05
    36   1    -0.00   0.16   0.06    -0.11   0.15   0.02     0.02   0.01   0.02
    37   1     0.15   0.22   0.08    -0.05  -0.04  -0.03     0.06   0.05   0.03
    38   1    -0.12   0.09   0.03     0.45  -0.21  -0.10     0.04   0.02   0.01
    39   1    -0.09   0.05   0.03    -0.10  -0.00   0.06    -0.05   0.04   0.02
    40   1    -0.08   0.19   0.10     0.03   0.07   0.02    -0.05   0.18   0.09
    41  35     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    42   1     0.26   0.02  -0.06     0.20  -0.08  -0.13     0.24   0.02  -0.05
                     85                     86                     87
                      A                      A                      A
 Frequencies --   1378.2901              1387.3926              1392.4249
 Red. masses --      5.2884                 4.6071                 4.5560
 Frc consts  --      5.9192                 5.2249                 5.2045
 IR Inten    --      1.2306                 6.5312                 5.7124
 RamAct Fr= 1--   2529.9708               481.6620               307.7566
  Dep-P Fr= 1--      0.1362                 0.1126                 0.4341
  Dep-U Fr= 1--      0.2398                 0.2024                 0.6053
 Alpha2 Fr= 1--     40.4928                 8.1757                 2.0090
 Beta2  Fr= 1--    101.1135                16.2506                31.0500
 AlphaG Fr= 1--   -169.8721               -56.2057               -15.5107
 Gamma2 Fr= 1--   -698.3173               138.9166              -404.8577
 Delta2 Fr= 1--   -637.3813                88.6722                19.8781
 Raman1 Fr= 1--   10119.883               1926.648               1231.026
 ROA1   Fr= 1--  -87434.666              16173.500             -38230.241
 CID1   Fr= 1--      -8.640                  8.395                -31.056
 Raman2 Fr= 1--    1213.362                195.007                372.600
 ROA2   Fr= 1--  -11660.566               2624.621              -9875.610
 CID2   Fr= 1--      -9.610                 13.459                -26.505
 Raman3 Fr= 1--    2426.724                390.014                745.201
 ROA3   Fr= 1--  -87434.666              16173.500             -38230.241
 CID3   Fr= 1--     -36.030                 41.469                -51.302
 RC180  Fr= 1--      -0.520                 -0.595                  0.211
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.02   0.00   0.02     0.07   0.04   0.12     0.09   0.04   0.11
     2   6    -0.00  -0.01  -0.01    -0.08  -0.06  -0.12    -0.00  -0.02  -0.02
     3   6     0.01   0.00   0.01     0.10  -0.02   0.07    -0.03   0.03  -0.00
     4   1     0.01  -0.00   0.01     0.07  -0.01   0.07     0.20  -0.09   0.08
     5   6    -0.01   0.00  -0.00    -0.03   0.10   0.06    -0.01   0.01   0.00
     6   1     0.00  -0.02  -0.02     0.06  -0.12  -0.06     0.04  -0.11  -0.06
     7   6     0.01  -0.01   0.00    -0.03  -0.07  -0.07     0.02   0.01   0.03
     8   1     0.03   0.00   0.03     0.05  -0.01  -0.01    -0.11  -0.09  -0.15
     9   6    -0.01   0.04   0.02     0.09  -0.07   0.03     0.02  -0.04  -0.01
    10   6    -0.01  -0.03  -0.02     0.02  -0.02  -0.01     0.04   0.02   0.04
    11   6    -0.02   0.01  -0.01    -0.13   0.15  -0.01    -0.07   0.01  -0.05
    12   6     0.05  -0.14  -0.02     0.15  -0.15   0.05     0.09   0.15   0.11
    13   6     0.04   0.18   0.10    -0.03   0.08   0.03    -0.04  -0.15  -0.09
    14   6     0.01  -0.04  -0.02    -0.06   0.01  -0.03    -0.05   0.03  -0.00
    15   6    -0.25  -0.05  -0.09    -0.06   0.05  -0.01    -0.01  -0.15  -0.03
    16   6     0.30   0.06   0.11    -0.09  -0.02  -0.04    -0.08  -0.00  -0.01
    17   6     0.03  -0.11  -0.04     0.09  -0.03   0.02    -0.04   0.12   0.04
    18   6    -0.14   0.05  -0.03    -0.07   0.03  -0.01     0.06  -0.06  -0.01
    19   6    -0.02   0.15   0.03     0.13   0.00   0.01     0.01   0.24   0.04
    20   6     0.14  -0.14  -0.03    -0.12   0.10   0.02     0.07  -0.14  -0.04
    21   6    -0.10  -0.09  -0.05     0.02   0.04   0.02    -0.04  -0.08  -0.04
    22   6    -0.04   0.10   0.03     0.04  -0.08  -0.02     0.05   0.12   0.05
    23   6    -0.00  -0.01  -0.00     0.03  -0.13  -0.06    -0.01  -0.12  -0.03
    24   6    -0.01   0.03   0.01    -0.01  -0.08  -0.03    -0.03  -0.01  -0.00
    25   6    -0.03   0.02   0.01     0.01   0.02   0.00    -0.04   0.04   0.02
    26   6     0.00  -0.05  -0.02    -0.02   0.07   0.03     0.04   0.01  -0.00
    27   6     0.01   0.01   0.00    -0.04   0.05   0.02    -0.06   0.05   0.03
    28   6    -0.01  -0.00   0.00     0.07  -0.07  -0.04     0.03  -0.07  -0.03
    29   6     0.00  -0.01  -0.00    -0.02  -0.04  -0.01     0.08   0.04   0.00
    30   6    -0.01   0.01   0.01    -0.10   0.06   0.05    -0.11   0.02   0.03
    31   1    -0.01  -0.03  -0.01     0.19   0.11   0.20     0.01  -0.01   0.00
    32   1     0.29  -0.19   0.09     0.28  -0.16   0.08    -0.15   0.10  -0.07
    33   1     0.09  -0.40  -0.06     0.03   0.19   0.10     0.05  -0.21  -0.09
    34   1    -0.05   0.03  -0.03     0.10  -0.01   0.01     0.21  -0.14   0.06
    35   1    -0.03  -0.04   0.00     0.16   0.17   0.07     0.00  -0.07   0.01
    36   1    -0.11   0.40   0.06    -0.02   0.07   0.04     0.19  -0.28  -0.08
    37   1     0.20   0.27   0.07     0.01  -0.07  -0.00     0.27   0.32   0.09
    38   1    -0.04   0.03   0.01     0.24  -0.03  -0.02     0.22  -0.00  -0.02
    39   1     0.05   0.01  -0.01    -0.08   0.06   0.05     0.13   0.02   0.01
    40   1    -0.01   0.02   0.01    -0.05   0.31   0.14    -0.01   0.08   0.03
    41  35     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.03   0.01  -0.00     0.31   0.03  -0.07     0.06   0.00  -0.01
                     88                     89                     90
                      A                      A                      A
 Frequencies --   1402.5530              1426.3335              1430.5811
 Red. masses --      5.7357                 3.0050                 3.1977
 Frc consts  --      6.6477                 3.6020                 3.8558
 IR Inten    --      2.8864                 2.5018                 2.3080
 RamAct Fr= 1--    399.7966               439.7403                24.5164
  Dep-P Fr= 1--      0.7136                 0.0658                 0.1596
  Dep-U Fr= 1--      0.8328                 0.1235                 0.2753
 Alpha2 Fr= 1--      0.2520                 8.3636                 0.3698
 Beta2  Fr= 1--     55.4941                 9.0539                 1.1249
 AlphaG Fr= 1--     -1.0962               -42.9362                -1.1393
 Gamma2 Fr= 1--  -1215.5302               240.0217                -2.8534
 Delta2 Fr= 1--   -227.5689                55.4523                -3.7313
 Raman1 Fr= 1--    1599.186               1758.961                 98.066
 ROA1   Fr= 1-- -123973.100              24816.554               -393.331
 CID1   Fr= 1--     -77.523                 14.109                 -4.011
 Raman2 Fr= 1--     665.929                108.646                 13.499
 ROA2   Fr= 1--  -27352.173               5316.902                -38.632
 CID2   Fr= 1--     -41.074                 48.938                 -2.862
 Raman3 Fr= 1--    1331.858                217.293                 26.998
 ROA3   Fr= 1-- -123973.100              24816.554               -393.331
 CID3   Fr= 1--     -93.083                114.208                -14.569
 RC180  Fr= 1--       0.666                 -0.753                 -0.449
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.10  -0.11  -0.21     0.06   0.08   0.15    -0.10  -0.08  -0.16
     2   6     0.00  -0.03  -0.02    -0.03   0.01  -0.02     0.04   0.02   0.06
     3   6     0.04  -0.02   0.01     0.02  -0.00   0.01    -0.02  -0.01  -0.03
     4   1    -0.03   0.02  -0.01    -0.04   0.02   0.00    -0.07   0.02  -0.05
     5   6    -0.01   0.02   0.01     0.00   0.01   0.01     0.01  -0.04  -0.02
     6   1    -0.02   0.04   0.01     0.00   0.01   0.01    -0.04   0.07   0.03
     7   6    -0.03  -0.00  -0.02    -0.00  -0.03  -0.02    -0.01   0.04   0.03
     8   1    -0.06  -0.02  -0.08     0.11   0.06   0.13    -0.11  -0.03  -0.10
     9   6     0.07  -0.07   0.00    -0.03   0.06   0.02     0.03  -0.06  -0.02
    10   6     0.09   0.01   0.06    -0.05  -0.02  -0.05     0.03   0.06   0.05
    11   6    -0.10   0.13  -0.00     0.05  -0.05   0.00     0.00  -0.01   0.00
    12   6     0.14  -0.03   0.10    -0.06  -0.04  -0.05    -0.05   0.11   0.00
    13   6    -0.09  -0.18  -0.12     0.01   0.10   0.04     0.02  -0.07  -0.02
    14   6    -0.10   0.06  -0.03     0.06  -0.02   0.02    -0.01  -0.02  -0.01
    15   6    -0.04   0.22   0.01     0.10  -0.03   0.03    -0.03  -0.07  -0.02
    16   6     0.03  -0.09  -0.03    -0.07  -0.00  -0.02     0.13   0.03   0.05
    17   6     0.04  -0.03   0.00    -0.01  -0.01  -0.00    -0.03   0.04   0.01
    18   6    -0.01   0.09   0.04     0.05  -0.04   0.00    -0.04   0.01  -0.02
    19   6    -0.18  -0.10  -0.01    -0.12   0.06   0.01    -0.05  -0.06  -0.00
    20   6     0.20  -0.13  -0.02     0.03  -0.05  -0.01    -0.05   0.12   0.03
    21   6    -0.04   0.09   0.03     0.05   0.03   0.02    -0.00  -0.04  -0.01
    22   6    -0.03  -0.04  -0.02    -0.03   0.03   0.00    -0.03  -0.02  -0.01
    23   6     0.06   0.17   0.04     0.14   0.03  -0.02     0.17  -0.05  -0.06
    24   6     0.09   0.10   0.03     0.09  -0.00   0.00     0.03  -0.06  -0.02
    25   6    -0.12  -0.03  -0.01    -0.13   0.03   0.01    -0.02   0.01   0.00
    26   6    -0.04  -0.11  -0.04    -0.05  -0.10  -0.03    -0.08   0.02   0.02
    27   6     0.04   0.01   0.00    -0.01   0.07   0.03     0.04   0.03   0.01
    28   6     0.00   0.02   0.01     0.07  -0.05  -0.03     0.06  -0.04  -0.03
    29   6    -0.04  -0.04  -0.01    -0.06  -0.05  -0.01    -0.16  -0.08  -0.01
    30   6     0.03  -0.03  -0.01    -0.06   0.05   0.04     0.03   0.09   0.04
    31   1     0.06  -0.03   0.03     0.01   0.04   0.02    -0.11  -0.06  -0.10
    32   1    -0.08   0.06  -0.05     0.03  -0.02   0.04    -0.18   0.07  -0.08
    33   1     0.01   0.11   0.06    -0.06   0.19   0.04     0.07  -0.35  -0.11
    34   1     0.37  -0.04   0.14    -0.30   0.10  -0.09     0.26  -0.11   0.06
    35   1    -0.36  -0.19  -0.11    -0.22  -0.23  -0.11     0.19   0.14   0.07
    36   1    -0.08   0.09   0.02     0.06  -0.28  -0.07    -0.10   0.22   0.04
    37   1     0.07   0.07  -0.01     0.15   0.06   0.00     0.03  -0.06  -0.01
    38   1    -0.06  -0.05  -0.01     0.21  -0.05  -0.01     0.13  -0.03  -0.01
    39   1     0.11   0.01  -0.03     0.16   0.06  -0.00    -0.20   0.08   0.06
    40   1    -0.01   0.06   0.02    -0.05   0.32   0.14    -0.08   0.40   0.19
    41  35    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    42   1     0.25  -0.04  -0.09     0.40   0.01  -0.11     0.15   0.10  -0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1457.3724              1463.3395              1476.4824
 Red. masses --      1.9830                 1.9286                 2.3270
 Frc consts  --      2.4814                 2.4332                 2.9888
 IR Inten    --      0.5247                 6.0050                 3.1106
 RamAct Fr= 1--     11.9258                38.0817                35.0255
  Dep-P Fr= 1--      0.7114                 0.3950                 0.3781
  Dep-U Fr= 1--      0.8314                 0.5663                 0.5488
 Alpha2 Fr= 1--      0.0080                 0.2872                 0.2800
 Beta2  Fr= 1--      1.6525                 3.5942                 3.2035
 AlphaG Fr= 1--     -0.1595                -1.2916                -2.3829
 Gamma2 Fr= 1--     -9.4056                18.7866                -9.6910
 Delta2 Fr= 1--     -1.2304                31.1945                24.9317
 Raman1 Fr= 1--      47.703                152.327                140.102
 ROA1   Fr= 1--    -942.310               2801.740               -132.522
 CID1   Fr= 1--     -19.754                 18.393                 -0.946
 Raman2 Fr= 1--      19.830                 43.130                 38.443
 ROA2   Fr= 1--    -215.891                201.322               -432.038
 CID2   Fr= 1--     -10.887                  4.668                -11.239
 Raman3 Fr= 1--      39.659                 86.260                 76.885
 ROA3   Fr= 1--    -942.310               2801.740               -132.522
 CID3   Fr= 1--     -23.760                 32.480                 -1.724
 RC180  Fr= 1--       0.663                  0.133                  0.098
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.01  -0.07  -0.05    -0.05  -0.00  -0.05     0.25   0.14   0.38
     2   6     0.05  -0.04   0.01    -0.01   0.02   0.01    -0.04  -0.06  -0.10
     3   6    -0.07   0.00  -0.05     0.04  -0.01   0.02    -0.05   0.04  -0.01
     4   1     0.20  -0.14   0.04    -0.14   0.09  -0.04     0.36  -0.17   0.15
     5   6    -0.04   0.05   0.01     0.01  -0.03  -0.02     0.01   0.08   0.08
     6   1     0.11  -0.35  -0.20    -0.07   0.18   0.09     0.14  -0.23  -0.08
     7   6     0.08   0.03   0.08    -0.04  -0.00  -0.03     0.03  -0.07  -0.04
     8   1    -0.20  -0.19  -0.30     0.06   0.08   0.10     0.14   0.00   0.11
     9   6    -0.02  -0.00  -0.02     0.02  -0.00   0.02    -0.10   0.05  -0.04
    10   6    -0.03  -0.08  -0.07     0.03   0.02   0.03    -0.05  -0.00  -0.03
    11   6     0.01   0.06   0.06    -0.02  -0.01  -0.03     0.07  -0.01   0.06
    12   6    -0.03   0.00  -0.03     0.02  -0.01   0.02     0.01  -0.02   0.00
    13   6     0.02  -0.06  -0.01    -0.04   0.01  -0.01    -0.00  -0.03  -0.02
    14   6    -0.07   0.09   0.01    -0.01  -0.02  -0.02     0.10  -0.01   0.05
    15   6     0.00   0.01   0.00    -0.00   0.02  -0.00    -0.01   0.07   0.00
    16   6     0.04   0.02   0.02     0.02  -0.03  -0.00     0.00  -0.05  -0.01
    17   6    -0.03  -0.05  -0.03     0.01  -0.04  -0.01    -0.01   0.08   0.03
    18   6     0.06   0.01   0.03     0.02   0.02   0.02    -0.04  -0.01  -0.02
    19   6    -0.02  -0.02  -0.00    -0.01  -0.00   0.00    -0.04  -0.03  -0.00
    20   6    -0.01   0.02   0.00     0.01   0.02   0.00     0.06   0.01   0.01
    21   6     0.03  -0.00   0.00     0.07   0.02   0.02    -0.04   0.01  -0.00
    22   6    -0.03   0.03   0.00    -0.06   0.06   0.01     0.01  -0.03  -0.01
    23   6     0.01  -0.01  -0.01    -0.03  -0.05  -0.01    -0.01  -0.01  -0.00
    24   6    -0.02  -0.03  -0.01    -0.07  -0.10  -0.04    -0.01  -0.02  -0.01
    25   6    -0.01   0.01   0.01    -0.04   0.06   0.02    -0.03   0.00   0.00
    26   6    -0.00   0.01   0.01     0.03   0.03   0.01    -0.01   0.03   0.01
    27   6     0.03  -0.01  -0.01     0.10  -0.03  -0.03     0.07  -0.01  -0.02
    28   6    -0.01  -0.01  -0.00    -0.06  -0.02   0.00    -0.02  -0.02  -0.00
    29   6    -0.02   0.00   0.00    -0.02   0.03   0.02    -0.03   0.02   0.01
    30   6     0.03   0.01  -0.00     0.07   0.00  -0.01     0.06   0.00  -0.01
    31   1     0.28   0.17   0.27    -0.06  -0.06  -0.07    -0.08  -0.01  -0.07
    32   1     0.37  -0.11   0.14    -0.07   0.00  -0.04    -0.21   0.14  -0.03
    33   1    -0.10   0.16   0.04    -0.03   0.13   0.04     0.09  -0.24  -0.08
    34   1    -0.19   0.10  -0.03    -0.09   0.06  -0.00     0.20  -0.10   0.04
    35   1    -0.05  -0.08  -0.04    -0.18  -0.21  -0.10     0.03   0.08   0.04
    36   1     0.01  -0.09  -0.04     0.05  -0.28  -0.10    -0.03   0.11   0.03
    37   1     0.08   0.07   0.03     0.31   0.30   0.12     0.10   0.09   0.04
    38   1     0.11  -0.01  -0.01     0.37  -0.02  -0.02     0.12  -0.03  -0.02
    39   1    -0.12   0.02   0.02    -0.36   0.03   0.06    -0.23   0.03   0.04
    40   1    -0.04   0.06   0.03    -0.10   0.08   0.05    -0.07   0.09   0.05
    41  35     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.08   0.02   0.03    -0.30   0.04   0.10    -0.16   0.02   0.05
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1510.5942              1515.5424              1537.3284
 Red. masses --      3.5609                 3.1298                 3.4101
 Frc consts  --      4.7874                 4.2355                 4.7485
 IR Inten    --     10.3182                 5.2962                17.7397
 RamAct Fr= 1--     42.2644               105.6420               123.0624
  Dep-P Fr= 1--      0.6945                 0.6902                 0.2014
  Dep-U Fr= 1--      0.8197                 0.8167                 0.3352
 Alpha2 Fr= 1--      0.0410                 0.1107                 1.6652
 Beta2  Fr= 1--      5.7740                14.3804                 6.8753
 AlphaG Fr= 1--     -0.3887                -1.5527                -4.8072
 Gamma2 Fr= 1--    -39.6742               -99.0599              -144.9214
 Delta2 Fr= 1--     34.2406                53.3248               -32.5803
 Raman1 Fr= 1--     169.058                422.568                492.250
 ROA1   Fr= 1--   -2713.026              -7803.356             -14955.022
 CID1   Fr= 1--     -16.048                -18.467                -30.381
 Raman2 Fr= 1--      69.288                172.564                 82.504
 ROA2   Fr= 1--   -1226.105              -2804.036              -3217.470
 CID2   Fr= 1--     -17.696                -16.249                -38.998
 Raman3 Fr= 1--     138.576                345.129                165.007
 ROA3   Fr= 1--   -2713.026              -7803.356             -14955.022
 CID3   Fr= 1--     -19.578                -22.610                -90.633
 RC180  Fr= 1--       0.639                  0.633                 -0.330
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.10   0.10   0.18     0.13   0.04   0.17     0.05   0.07   0.11
     2   6    -0.06  -0.01  -0.06     0.00  -0.04  -0.04    -0.04  -0.00  -0.04
     3   6     0.04   0.03   0.05    -0.07   0.04  -0.02     0.03   0.02   0.04
     4   1    -0.03   0.07   0.04     0.25  -0.13   0.09    -0.07   0.07   0.01
     5   6     0.03  -0.05  -0.02     0.03   0.03   0.05     0.02  -0.06  -0.04
     6   1    -0.07   0.22   0.13     0.08  -0.09  -0.01    -0.08   0.19   0.09
     7   6    -0.06  -0.02  -0.06    -0.00  -0.04  -0.03    -0.04   0.01  -0.03
     8   1     0.16   0.15   0.24     0.08   0.02   0.07     0.07   0.09   0.12
     9   6     0.02   0.10   0.08    -0.05  -0.02  -0.05     0.04   0.09   0.09
    10   6     0.01  -0.07  -0.04     0.04   0.05   0.06    -0.04  -0.08  -0.08
    11   6     0.01  -0.05  -0.03     0.04   0.03   0.06     0.01  -0.05  -0.02
    12   6     0.06   0.01   0.05     0.01   0.02   0.01     0.00   0.03   0.02
    13   6    -0.07  -0.04  -0.06    -0.09  -0.02  -0.06     0.07  -0.07   0.01
    14   6    -0.05   0.04  -0.01     0.04  -0.04   0.00    -0.05   0.07   0.01
    15   6    -0.02   0.05  -0.01    -0.06   0.01  -0.02    -0.02   0.04  -0.00
    16   6     0.01   0.06   0.03     0.10  -0.03   0.02     0.04  -0.03   0.00
    17   6    -0.07  -0.03  -0.03     0.03  -0.10  -0.03    -0.05   0.09   0.02
    18   6     0.16  -0.05   0.04     0.01   0.07   0.04     0.01  -0.04  -0.02
    19   6    -0.07  -0.02   0.00     0.02  -0.03  -0.00    -0.03  -0.06  -0.01
    20   6     0.03  -0.04  -0.01    -0.12  -0.02  -0.02     0.05   0.08   0.03
    21   6    -0.07  -0.12  -0.05     0.11  -0.00   0.02    -0.02   0.01   0.00
    22   6     0.05   0.08   0.04    -0.08   0.12   0.03    -0.01  -0.03  -0.01
    23   6     0.04  -0.06  -0.03     0.06  -0.02  -0.02     0.05  -0.01  -0.02
    24   6     0.01   0.08   0.03    -0.05   0.00   0.00    -0.08  -0.10  -0.03
    25   6     0.11  -0.07  -0.03     0.11   0.01   0.00    -0.03   0.06   0.02
    26   6    -0.10   0.10   0.05     0.03   0.02   0.00     0.13   0.00  -0.02
    27   6     0.02   0.00  -0.00    -0.10  -0.02   0.01    -0.08  -0.07  -0.02
    28   6     0.03  -0.03  -0.02     0.03   0.10   0.04    -0.02   0.18   0.08
    29   6    -0.10  -0.02   0.01    -0.03  -0.10  -0.04     0.00  -0.12  -0.05
    30   6     0.09   0.03  -0.00    -0.04   0.04   0.03    -0.07   0.04   0.03
    31   1     0.12   0.02   0.08    -0.16  -0.12  -0.17     0.19   0.10   0.17
    32   1     0.12  -0.04   0.05    -0.24   0.09  -0.09     0.20  -0.05   0.09
    33   1    -0.13   0.16   0.02    -0.04   0.17   0.06     0.03  -0.21  -0.08
    34   1    -0.34   0.13  -0.06    -0.03   0.09   0.03     0.05  -0.07  -0.01
    35   1     0.20   0.12   0.08    -0.13  -0.23  -0.11     0.02   0.05   0.02
    36   1     0.08   0.00   0.01     0.06  -0.32  -0.12    -0.04   0.07   0.01
    37   1    -0.21  -0.14  -0.05    -0.09  -0.02  -0.00     0.20   0.20   0.08
    38   1    -0.31   0.01   0.01    -0.17   0.07   0.03     0.21   0.01  -0.00
    39   1    -0.16   0.04   0.04     0.28  -0.08  -0.07     0.25  -0.13  -0.09
    40   1    -0.03   0.16   0.08     0.14  -0.19  -0.10     0.16  -0.35  -0.18
    41  35     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    42   1    -0.14   0.06   0.06     0.23   0.02  -0.05     0.28   0.01  -0.07
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1549.6887              1557.1988              1588.0023
 Red. masses --      3.9321                 3.7726                 7.8670
 Frc consts  --      5.5637                 5.3899                11.6886
 IR Inten    --      4.6831                 2.1793                 0.4062
 RamAct Fr= 1--     75.4363                12.8445                18.6402
  Dep-P Fr= 1--      0.5913                 0.2470                 0.7011
  Dep-U Fr= 1--      0.7432                 0.3962                 0.8243
 Alpha2 Fr= 1--      0.2229                 0.1535                 0.0159
 Beta2  Fr= 1--      9.3440                 0.8482                 2.5609
 AlphaG Fr= 1--     -0.7801                -0.6070                 0.2367
 Gamma2 Fr= 1--   -344.7578               -45.4893               -28.0644
 Delta2 Fr= 1--    -63.0809                -8.0924                -7.8486
 Raman1 Fr= 1--     301.745                 51.378                 74.561
 ROA1   Fr= 1--  -35115.340              -4625.927              -2945.340
 CID1   Fr= 1--    -116.374                -90.037                -39.502
 Raman2 Fr= 1--     112.128                 10.178                 30.730
 ROA2   Fr= 1--   -7769.540              -1027.003               -610.757
 CID2   Fr= 1--     -69.292               -100.903                -19.875
 Raman3 Fr= 1--     224.256                 20.356                 61.461
 ROA3   Fr= 1--  -35115.340              -4625.927              -2945.340
 CID3   Fr= 1--    -156.586               -227.248                -47.922
 RC180  Fr= 1--       0.486                 -0.208                  0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.21   0.06   0.27     0.14   0.07   0.20    -0.12   0.08  -0.04
     2   6     0.00  -0.08  -0.07    -0.02  -0.05  -0.06    -0.09   0.08  -0.00
     3   6    -0.13   0.11  -0.01    -0.06   0.08   0.02     0.21  -0.13   0.05
     4   1     0.31  -0.11   0.15     0.11  -0.00   0.09    -0.33   0.13  -0.14
     5   6     0.09  -0.09  -0.00     0.07  -0.12  -0.04    -0.11   0.17   0.05
     6   1    -0.00   0.18   0.15    -0.07   0.25   0.15     0.02  -0.21  -0.15
     7   6    -0.07  -0.00  -0.06    -0.06   0.03  -0.03     0.06  -0.07  -0.01
     8   1     0.12   0.14   0.20     0.07   0.13   0.15     0.05  -0.09  -0.03
     9   6     0.02  -0.00   0.01     0.06   0.05   0.08    -0.10   0.14   0.02
    10   6     0.09   0.02   0.06    -0.02  -0.06  -0.05    -0.05  -0.05  -0.06
    11   6     0.04   0.05   0.08     0.03   0.00   0.04     0.04  -0.17  -0.09
    12   6    -0.03   0.06  -0.01    -0.05   0.05  -0.02     0.10   0.12   0.11
    13   6    -0.06  -0.03  -0.04     0.13  -0.09   0.03    -0.09  -0.12  -0.10
    14   6    -0.07  -0.00  -0.04    -0.08   0.07  -0.01     0.06   0.03   0.05
    15   6    -0.02  -0.09  -0.02    -0.03  -0.01  -0.00    -0.17   0.01  -0.06
    16   6     0.02   0.17   0.06     0.07  -0.12  -0.02     0.18   0.00   0.05
    17   6    -0.01  -0.13  -0.05     0.03   0.06   0.03    -0.07   0.01  -0.02
    18   6     0.07   0.02   0.04    -0.13   0.04  -0.04     0.10  -0.01   0.03
    19   6     0.05  -0.02  -0.01     0.07   0.02   0.00     0.15  -0.13  -0.02
    20   6     0.01   0.10   0.03    -0.13  -0.07  -0.03    -0.15   0.13   0.03
    21   6    -0.04  -0.00  -0.01     0.13   0.08   0.05     0.06  -0.02   0.00
    22   6     0.04  -0.11  -0.03    -0.08   0.04  -0.01    -0.06   0.04   0.00
    23   6    -0.03   0.08   0.03    -0.03   0.03   0.02    -0.01   0.18   0.07
    24   6     0.06  -0.05  -0.01     0.03   0.05   0.02     0.03  -0.05  -0.02
    25   6    -0.13   0.04   0.02     0.05  -0.02  -0.01    -0.03   0.05   0.02
    26   6     0.04  -0.09  -0.04    -0.07  -0.04  -0.00    -0.03  -0.18  -0.06
    27   6     0.02   0.02   0.01     0.01   0.05   0.02     0.00   0.08   0.03
    28   6    -0.02  -0.04  -0.01     0.03  -0.11  -0.05     0.01  -0.13  -0.06
    29   6     0.08   0.06   0.01     0.02   0.07   0.03     0.13   0.13   0.04
    30   6    -0.06  -0.04  -0.01     0.01  -0.03  -0.02    -0.11  -0.08  -0.01
    31   1    -0.05  -0.11  -0.10     0.15   0.07   0.13     0.03   0.03   0.03
    32   1     0.02  -0.06  -0.02     0.21  -0.06   0.08    -0.11   0.12  -0.00
    33   1    -0.12   0.24   0.07     0.10  -0.20  -0.04    -0.04  -0.10  -0.04
    34   1    -0.16   0.11  -0.01     0.30  -0.12   0.06    -0.07   0.04   0.01
    35   1     0.11   0.15   0.06    -0.21  -0.22  -0.12     0.06  -0.02  -0.01
    36   1    -0.08   0.28   0.09    -0.02  -0.19  -0.07    -0.03  -0.02  -0.03
    37   1     0.10  -0.01  -0.00    -0.13  -0.11  -0.04     0.00  -0.07  -0.01
    38   1     0.22  -0.04  -0.02    -0.16   0.02   0.02    -0.00   0.04   0.02
    39   1     0.01   0.02   0.00    -0.03   0.07   0.03     0.07   0.07   0.02
    40   1    -0.04   0.00   0.01    -0.07   0.18   0.09    -0.08   0.11   0.06
    41  35    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    42   1     0.05  -0.06  -0.03    -0.09  -0.02   0.01     0.12  -0.12  -0.08
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1615.0800              1636.6685              1643.3537
 Red. masses --      6.8499                 6.0285                 6.5238
 Frc consts  --     10.5274                 9.5143                10.3803
 IR Inten    --      2.4007                31.0050                 3.1039
 RamAct Fr= 1--    174.7752               108.7718               216.6610
  Dep-P Fr= 1--      0.7477                 0.5316                 0.5382
  Dep-U Fr= 1--      0.8557                 0.6942                 0.6998
 Alpha2 Fr= 1--      0.0067                 0.4596                 0.8841
 Beta2  Fr= 1--     24.9249                12.5842                25.2684
 AlphaG Fr= 1--     -0.0346                 0.5289                -2.4449
 Gamma2 Fr= 1--     -0.6317               -66.9054               -32.9107
 Delta2 Fr= 1--     79.2493                31.2980                40.7535
 Raman1 Fr= 1--     699.101                435.087                866.644
 ROA1   Fr= 1--    2475.336              -5421.382              -1855.318
 CID1   Fr= 1--       3.541                -12.460                 -2.141
 Raman2 Fr= 1--     299.098                151.011                303.220
 ROA2   Fr= 1--    -649.155              -1856.113              -1115.885
 CID2   Fr= 1--      -2.170                -12.291                 -3.680
 Raman3 Fr= 1--     598.197                302.021                606.441
 ROA3   Fr= 1--    2475.336              -5421.382              -1855.318
 CID3   Fr= 1--       4.138                -17.950                 -3.059
 RC180  Fr= 1--       0.711                  0.388                  0.400
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.01  -0.11  -0.10     0.00   0.02   0.03    -0.02  -0.07  -0.09
     2   6     0.10  -0.04   0.05    -0.02   0.01  -0.01     0.06  -0.01   0.04
     3   6    -0.16   0.08  -0.05     0.02  -0.01   0.01    -0.07   0.04  -0.03
     4   1     0.20  -0.10   0.07    -0.02   0.01  -0.01     0.07  -0.03   0.02
     5   6     0.07  -0.11  -0.03    -0.01   0.02   0.01     0.03  -0.06  -0.02
     6   1    -0.01   0.10   0.08     0.01  -0.02  -0.01    -0.01   0.06   0.04
     7   6    -0.04   0.06   0.01     0.00  -0.01  -0.01    -0.02   0.04   0.01
     8   1    -0.06   0.05  -0.01     0.02  -0.00   0.01    -0.04   0.03  -0.01
     9   6     0.11  -0.11   0.01    -0.02   0.02  -0.00     0.09  -0.05   0.03
    10   6    -0.07   0.02  -0.03     0.03  -0.00   0.01    -0.13  -0.01  -0.09
    11   6    -0.10   0.13   0.01     0.03  -0.02   0.01    -0.09   0.06  -0.04
    12   6     0.04  -0.15  -0.03    -0.02   0.03  -0.01     0.10  -0.04   0.05
    13   6    -0.05   0.13   0.03     0.04  -0.03   0.01    -0.14   0.06  -0.05
    14   6     0.08  -0.05   0.02    -0.04   0.01  -0.01     0.17  -0.04   0.08
    15   6    -0.01   0.15   0.02     0.03  -0.01   0.01    -0.13  -0.02  -0.04
    16   6     0.02  -0.15  -0.04    -0.02  -0.01  -0.01     0.11   0.01   0.04
    17   6    -0.08   0.17   0.04     0.04  -0.04  -0.00    -0.12   0.14   0.01
    18   6     0.11  -0.12  -0.00    -0.06   0.04  -0.01     0.19  -0.11   0.03
    19   6    -0.00  -0.14  -0.02    -0.01   0.01   0.00     0.10   0.06   0.01
    20   6     0.01   0.13   0.04    -0.05  -0.02  -0.01    -0.14  -0.10  -0.04
    21   6    -0.06  -0.16  -0.07    -0.00  -0.05  -0.02     0.11   0.15   0.07
    22   6    -0.01   0.20   0.07     0.00   0.07   0.02    -0.05  -0.13  -0.06
    23   6     0.07   0.13   0.03     0.15  -0.08  -0.06    -0.06  -0.09  -0.02
    24   6    -0.09  -0.08  -0.03     0.11   0.07   0.02     0.20   0.12   0.04
    25   6     0.09   0.04   0.01    -0.05  -0.05  -0.02    -0.19  -0.05  -0.01
    26   6    -0.08  -0.12  -0.03    -0.19   0.06   0.05     0.05   0.08   0.02
    27   6     0.04   0.04   0.01     0.33  -0.11  -0.10     0.05  -0.05  -0.03
    28   6    -0.01  -0.07  -0.03    -0.20   0.14   0.09    -0.04   0.08   0.04
    29   6     0.11   0.09   0.02     0.19   0.04  -0.02    -0.02  -0.04  -0.02
    30   6    -0.13  -0.05   0.01    -0.28   0.01   0.06     0.03   0.03   0.00
    31   1     0.02   0.10   0.07    -0.00  -0.03  -0.02     0.05   0.15   0.12
    32   1    -0.08   0.03  -0.01     0.04  -0.02   0.01    -0.19   0.14  -0.02
    33   1     0.02  -0.23  -0.10     0.02   0.05   0.03    -0.05  -0.19  -0.10
    34   1    -0.21  -0.01  -0.09     0.09  -0.01   0.03    -0.25   0.03  -0.08
    35   1     0.22   0.08   0.07     0.05  -0.01   0.01    -0.20  -0.12  -0.08
    36   1     0.14  -0.23  -0.07     0.05  -0.09  -0.02    -0.13   0.12   0.02
    37   1     0.07   0.09   0.05    -0.10  -0.16  -0.06    -0.13  -0.24  -0.10
    38   1    -0.13   0.09   0.04    -0.04  -0.07  -0.02     0.17  -0.14  -0.06
    39   1    -0.00   0.05   0.02    -0.47  -0.01   0.06    -0.09  -0.04  -0.00
    40   1    -0.05   0.03   0.02    -0.07  -0.29  -0.12     0.01  -0.09  -0.04
    41  35    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1     0.17  -0.08  -0.08     0.34  -0.06  -0.12    -0.06   0.03   0.03
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1652.4178              1660.7254              1663.4565
 Red. masses --      5.4728                 6.1962                 6.2504
 Frc consts  --      8.8043                10.0687                10.1902
 IR Inten    --      1.5860                 0.5516                 1.1964
 RamAct Fr= 1--    193.5280               328.7051                81.8135
  Dep-P Fr= 1--      0.1436                 0.0655                 0.1249
  Dep-U Fr= 1--      0.2512                 0.1230                 0.2220
 Alpha2 Fr= 1--      3.0404                 6.2561                 1.3472
 Beta2  Fr= 1--      8.1016                 6.7400                 3.0270
 AlphaG Fr= 1--     -9.8592               -36.1783               -10.1732
 Gamma2 Fr= 1--    -41.4230               116.4346                20.8419
 Delta2 Fr= 1--    -18.8385               -33.3104                -1.8292
 Raman1 Fr= 1--     774.112               1314.821                327.254
 ROA1   Fr= 1--   -4579.439              10111.787               1942.293
 CID1   Fr= 1--      -5.916                  7.691                  5.935
 Raman2 Fr= 1--      97.219                 80.880                 36.324
 ROA2   Fr= 1--    -843.443               3060.913                514.840
 CID2   Fr= 1--      -8.676                 37.845                 14.174
 Raman3 Fr= 1--     194.438                161.761                 72.648
 ROA3   Fr= 1--   -4579.439              10111.787               1942.293
 CID3   Fr= 1--     -23.552                 62.511                 26.736
 RC180  Fr= 1--      -0.498                 -0.754                 -0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.12   0.12   0.23     0.02   0.02   0.04     0.10   0.12   0.22
     2   6    -0.14  -0.07  -0.18    -0.02  -0.01  -0.03    -0.13  -0.04  -0.15
     3   6     0.12   0.03   0.13     0.02   0.00   0.02     0.13  -0.02   0.09
     4   1    -0.19   0.19   0.03    -0.02   0.02   0.00    -0.14   0.12   0.00
     5   6    -0.02  -0.19  -0.18    -0.00  -0.02  -0.02    -0.04  -0.04  -0.07
     6   1    -0.22   0.27   0.06    -0.03   0.03   0.00    -0.09   0.07  -0.02
     7   6     0.11   0.18   0.22     0.02   0.02   0.03     0.10   0.06   0.12
     8   1    -0.27  -0.08  -0.26    -0.04  -0.02  -0.04    -0.12  -0.10  -0.15
     9   6    -0.03  -0.08  -0.08    -0.01  -0.02  -0.02    -0.15  -0.04  -0.15
    10   6    -0.15  -0.01  -0.10     0.00   0.01   0.01     0.22   0.07   0.18
    11   6     0.01   0.09   0.08     0.00   0.01   0.01     0.10   0.04   0.12
    12   6     0.02   0.03   0.02     0.02  -0.01   0.01    -0.04  -0.10  -0.07
    13   6    -0.06  -0.03  -0.05    -0.05   0.03  -0.01     0.03   0.09   0.05
    14   6     0.19  -0.02   0.10     0.01  -0.01   0.00    -0.21   0.00  -0.12
    15   6     0.02  -0.01   0.00    -0.03  -0.06  -0.02    -0.04   0.06  -0.00
    16   6    -0.03   0.04   0.00     0.03   0.09   0.04     0.06  -0.09  -0.01
    17   6     0.07  -0.12  -0.02    -0.07   0.05  -0.00    -0.11   0.19   0.04
    18   6    -0.07   0.09   0.01     0.10  -0.06   0.01     0.15  -0.14  -0.00
    19   6    -0.00  -0.01  -0.00    -0.10   0.08   0.02     0.04  -0.02  -0.00
    20   6     0.01   0.02   0.01     0.09  -0.09  -0.02    -0.05  -0.01  -0.01
    21   6    -0.03  -0.04  -0.02     0.08   0.23   0.09     0.03   0.01   0.01
    22   6     0.02   0.03   0.01    -0.01  -0.27  -0.10    -0.03   0.02  -0.00
    23   6     0.00   0.01   0.00     0.11   0.02  -0.01    -0.03  -0.01   0.00
    24   6    -0.00  -0.01  -0.00    -0.26  -0.09  -0.03     0.07   0.03   0.01
    25   6    -0.00   0.00   0.00     0.31   0.03   0.00    -0.07  -0.01  -0.00
    26   6     0.00  -0.01  -0.00    -0.17  -0.03   0.01     0.03   0.01  -0.00
    27   6    -0.00   0.00   0.00     0.07   0.02  -0.00    -0.01  -0.01  -0.00
    28   6    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01    -0.00   0.01   0.00
    29   6     0.00   0.00   0.00     0.06   0.04   0.01    -0.01  -0.01  -0.00
    30   6    -0.01  -0.00   0.00    -0.10  -0.01   0.02     0.02   0.00  -0.00
    31   1     0.01   0.15   0.09    -0.02  -0.01  -0.02    -0.14  -0.25  -0.24
    32   1    -0.21   0.18  -0.01    -0.03   0.00  -0.01     0.18  -0.20  -0.01
    33   1     0.00   0.16   0.07    -0.05  -0.06  -0.04    -0.01  -0.24  -0.11
    34   1     0.11   0.03   0.06    -0.14   0.02  -0.05    -0.22  -0.02  -0.10
    35   1     0.06   0.03   0.02    -0.29  -0.08  -0.07    -0.02  -0.03  -0.01
    36   1     0.04  -0.02   0.00    -0.20   0.26   0.06    -0.01  -0.04  -0.02
    37   1     0.01   0.00   0.00     0.07   0.29   0.11    -0.03  -0.08  -0.03
    38   1     0.01  -0.00   0.00    -0.33   0.18   0.08     0.06  -0.04  -0.02
    39   1     0.00   0.00  -0.00    -0.08   0.04   0.02     0.01  -0.01  -0.00
    40   1    -0.00  -0.00  -0.00    -0.03   0.01   0.01     0.01  -0.01  -0.01
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.01  -0.00  -0.00     0.13  -0.03  -0.05    -0.02   0.01   0.00
                    106                    107                    108
                      A                      A                      A
 Frequencies --   3165.5592              3166.3014              3167.6821
 Red. masses --      1.0859                 1.0860                 1.0862
 Frc consts  --      6.4115                 6.4148                 6.4218
 IR Inten    --      0.9142                 1.1105                 3.7845
 RamAct Fr= 1--     14.3270                11.1582                39.3256
  Dep-P Fr= 1--      0.5931                 0.4284                 0.7281
  Dep-U Fr= 1--      0.7446                 0.5998                 0.8426
 Alpha2 Fr= 1--      0.0418                 0.0744                 0.0148
 Beta2  Fr= 1--      1.7780                 1.1155                 5.5229
 AlphaG Fr= 1--      0.1360                 0.2383                -0.0254
 Gamma2 Fr= 1--      4.0368               -18.8197                30.6539
 Delta2 Fr= 1--      4.3955                -0.2177                22.8347
 Raman1 Fr= 1--      57.308                 44.633                157.303
 ROA1   Fr= 1--     528.186              -1813.661               3673.487
 CID1   Fr= 1--       9.217                -40.635                 23.353
 Raman2 Fr= 1--      21.336                 13.386                 66.274
 ROA2   Fr= 1--      61.719               -449.932                553.017
 CID2   Fr= 1--       2.893                -33.612                  8.344
 Raman3 Fr= 1--      42.671                 26.772                132.549
 ROA3   Fr= 1--     528.186              -1813.661               3673.487
 CID3   Fr= 1--      12.378                -67.745                 27.714
 RC180  Fr= 1--       0.489                  0.200                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.01   0.01   0.00    -0.01   0.01   0.00     0.02  -0.03  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     4   1    -0.01  -0.05  -0.06    -0.00  -0.03  -0.03     0.02   0.12   0.13
     5   6    -0.01   0.00  -0.01    -0.01   0.00  -0.00     0.02  -0.00   0.02
     6   1     0.14  -0.00   0.11     0.07  -0.00   0.05    -0.26   0.01  -0.20
     7   6     0.02  -0.02  -0.00     0.01  -0.01  -0.00    -0.03   0.03   0.00
     8   1    -0.21   0.25   0.02    -0.10   0.11   0.01     0.34  -0.39  -0.03
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.03   0.03   0.00    -0.01   0.01   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   6    -0.01  -0.04  -0.03    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   6    -0.02  -0.00  -0.01     0.01   0.00   0.00    -0.03  -0.01  -0.01
    18   6     0.01   0.02   0.01    -0.00  -0.00  -0.00     0.01   0.03   0.02
    19   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6    -0.01   0.01   0.00     0.02  -0.02  -0.00    -0.01   0.01   0.00
    22   6     0.01   0.00   0.00    -0.02  -0.00  -0.01     0.02   0.00   0.01
    23   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   6     0.01  -0.01  -0.00    -0.04   0.03   0.01    -0.02   0.01   0.00
    25   6     0.00   0.01   0.00    -0.01  -0.04  -0.01    -0.00  -0.02  -0.01
    26   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.01   0.00
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   1     0.35  -0.39  -0.02     0.12  -0.13  -0.01    -0.03   0.03   0.00
    32   1     0.13   0.48   0.32     0.04   0.14   0.10     0.02   0.05   0.04
    33   1     0.24   0.03   0.09    -0.09  -0.01  -0.04     0.39   0.06   0.15
    34   1    -0.06  -0.26  -0.13     0.01   0.04   0.02    -0.08  -0.34  -0.18
    35   1     0.09  -0.09  -0.02    -0.24   0.24   0.05     0.12  -0.12  -0.02
    36   1    -0.14  -0.03  -0.04     0.29   0.07   0.09    -0.25  -0.06  -0.08
    37   1    -0.09   0.08   0.02     0.45  -0.39  -0.12     0.19  -0.17  -0.05
    38   1    -0.02  -0.09  -0.03     0.12   0.49   0.17     0.06   0.24   0.08
    39   1     0.01   0.03   0.01    -0.03  -0.14  -0.05    -0.02  -0.09  -0.03
    40   1    -0.01  -0.00   0.00     0.03   0.01  -0.00     0.02   0.01  -0.00
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    109                    110                    111
                      A                      A                      A
 Frequencies --   3168.4523              3169.8262              3173.0178
 Red. masses --      1.0862                 1.0861                 1.0887
 Frc consts  --      6.4246                 6.4298                 6.4582
 IR Inten    --      0.7320                 0.2848                 6.9245
 RamAct Fr= 1--    129.9266                84.3396               114.6939
  Dep-P Fr= 1--      0.7265                 0.7495                 0.4804
  Dep-U Fr= 1--      0.8416                 0.8568                 0.6490
 Alpha2 Fr= 1--      0.0523                 0.0007                 0.6189
 Beta2  Fr= 1--     18.2248                12.0442                12.4063
 AlphaG Fr= 1--     -0.0210                -0.0030                 0.3357
 Gamma2 Fr= 1--     15.4601               -19.1182                -7.4222
 Delta2 Fr= 1--    -10.4621               -33.1907                -5.4745
 Raman1 Fr= 1--     519.706                337.358                458.776
 ROA1   Fr= 1--    1149.385              -2897.453               -887.713
 CID1   Fr= 1--       2.212                 -8.589                 -1.935
 Raman2 Fr= 1--     218.697                144.531                148.876
 ROA2   Fr= 1--     454.740               -193.311               -134.337
 CID2   Fr= 1--       2.079                 -1.338                 -0.902
 Raman3 Fr= 1--     437.395                289.061                297.752
 ROA3   Fr= 1--    1149.385              -2897.453               -887.713
 CID3   Fr= 1--       2.628                -10.024                 -2.981
 RC180  Fr= 1--       0.683                  0.714                  0.298
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02   0.03   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     4   1    -0.02  -0.14  -0.14    -0.01  -0.04  -0.04    -0.00  -0.00  -0.00
     5   6    -0.02   0.00  -0.02    -0.01   0.00  -0.00     0.00  -0.00   0.00
     6   1     0.27  -0.01   0.21     0.07  -0.00   0.05    -0.00   0.00  -0.00
     7   6     0.03  -0.03  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     8   1    -0.31   0.36   0.03    -0.06   0.07   0.01     0.00  -0.00  -0.00
     9   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   6     0.02  -0.02  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   6     0.01   0.03   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6    -0.02  -0.00  -0.01    -0.04  -0.01  -0.01     0.00   0.00   0.00
    18   6     0.00   0.01   0.00     0.01   0.03   0.02    -0.00  -0.00  -0.00
    19   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.02   0.02   0.00     0.03  -0.03  -0.00    -0.00   0.00   0.00
    22   6     0.03   0.01   0.01    -0.04  -0.01  -0.01     0.01   0.00   0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   6    -0.01   0.01   0.00     0.01  -0.01  -0.00    -0.02   0.01   0.00
    25   6    -0.00  -0.02  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.02  -0.07  -0.03
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.01   0.00
    29   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.19   0.21   0.01    -0.13   0.15   0.01     0.00  -0.00  -0.00
    32   1    -0.08  -0.31  -0.21    -0.04  -0.15  -0.10     0.00   0.00   0.00
    33   1     0.20   0.03   0.08     0.42   0.06   0.16    -0.01  -0.00  -0.00
    34   1    -0.03  -0.11  -0.06    -0.10  -0.41  -0.22     0.00   0.02   0.01
    35   1     0.21  -0.20  -0.04    -0.32   0.32   0.06     0.02  -0.02  -0.00
    36   1    -0.34  -0.08  -0.10     0.42   0.09   0.13    -0.07  -0.01  -0.02
    37   1     0.15  -0.13  -0.04    -0.09   0.08   0.02     0.18  -0.15  -0.05
    38   1     0.05   0.20   0.07    -0.04  -0.17  -0.06     0.01   0.06   0.02
    39   1    -0.02  -0.08  -0.03     0.02   0.10   0.04     0.19   0.86   0.31
    40   1     0.02   0.01  -0.00    -0.02  -0.01   0.00    -0.20  -0.07   0.00
    41  35     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    42   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
                    112                    113                    114
                      A                      A                      A
 Frequencies --   3178.9079              3184.1448              3184.8285
 Red. masses --      1.0897                 1.0960                 1.0958
 Frc consts  --      6.4881                 6.5472                 6.5484
 IR Inten    --      6.8123                 8.9981                 4.7436
 RamAct Fr= 1--    106.3738                83.1176               348.2498
  Dep-P Fr= 1--      0.7369                 0.7276                 0.5030
  Dep-U Fr= 1--      0.8485                 0.8423                 0.6694
 Alpha2 Fr= 1--      0.0238                 0.0319                 1.6955
 Beta2  Fr= 1--     15.0432                11.6689                38.8502
 AlphaG Fr= 1--      0.3551                 0.0739                 1.3876
 Gamma2 Fr= 1--    -19.9274               -50.6962                40.3945
 Delta2 Fr= 1--      9.2438               -38.6668               -25.8079
 Raman1 Fr= 1--     425.495                332.470               1392.999
 ROA1   Fr= 1--   -1617.232              -6104.175               3052.020
 CID1   Fr= 1--      -3.801                -18.360                  2.191
 Raman2 Fr= 1--     180.519                140.026                466.202
 ROA2   Fr= 1--    -552.209               -907.375               1175.932
 CID2   Fr= 1--      -3.059                 -6.480                  2.522
 Raman3 Fr= 1--     361.038                280.053                932.404
 ROA3   Fr= 1--   -1617.232              -6104.175               3052.020
 CID3   Fr= 1--      -4.479                -21.797                  3.273
 RC180  Fr= 1--       0.697                  0.685                  0.339
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.09  -0.10  -0.02     0.01  -0.01  -0.00    -0.01   0.01   0.00
     2   6    -0.01   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01  -0.05  -0.05    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   1     0.07   0.54   0.56     0.01   0.05   0.05    -0.01  -0.04  -0.04
     5   6     0.02   0.00   0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   1    -0.25   0.00  -0.20     0.02  -0.00   0.01    -0.02   0.00  -0.02
     7   6     0.03  -0.03  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1    -0.31   0.37   0.03    -0.05   0.06   0.00     0.04  -0.04  -0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.03  -0.03  -0.00    -0.03   0.03  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00   0.01   0.01    -0.01  -0.03  -0.02     0.01   0.03   0.02
    15   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6    -0.00  -0.00  -0.00     0.03   0.00   0.01    -0.01  -0.00  -0.00
    18   6     0.00  -0.00  -0.00     0.01   0.03   0.01    -0.00  -0.00  -0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.02   0.02   0.00    -0.02   0.02   0.00
    22   6     0.00   0.00   0.00    -0.02  -0.01  -0.01    -0.03  -0.01  -0.01
    23   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    24   6    -0.00   0.00   0.00     0.02  -0.01  -0.00     0.03  -0.02  -0.01
    25   6     0.00   0.00   0.00    -0.01  -0.02  -0.01    -0.01  -0.04  -0.01
    26   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    28   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    30   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.03  -0.04  -0.00    -0.33   0.37   0.01     0.29  -0.33  -0.01
    32   1    -0.03  -0.10  -0.07     0.09   0.31   0.21    -0.08  -0.30  -0.20
    33   1     0.03   0.00   0.01    -0.34  -0.05  -0.13     0.12   0.02   0.05
    34   1     0.00   0.00   0.00    -0.07  -0.31  -0.16     0.01   0.04   0.02
    35   1    -0.01   0.01   0.00     0.22  -0.23  -0.04     0.18  -0.18  -0.03
    36   1    -0.00  -0.00  -0.00     0.26   0.06   0.08     0.29   0.07   0.09
    37   1     0.00  -0.00  -0.00    -0.17   0.14   0.04    -0.33   0.27   0.08
    38   1    -0.00  -0.00  -0.00     0.07   0.28   0.10     0.12   0.49   0.17
    39   1     0.00   0.00   0.00     0.01   0.05   0.02     0.02   0.08   0.03
    40   1    -0.00  -0.00  -0.00    -0.02  -0.01   0.00    -0.03  -0.01   0.00
    41  35    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                    115                    116                    117
                      A                      A                      A
 Frequencies --   3186.2391              3187.6641              3193.9840
 Red. masses --      1.0955                 1.0952                 1.0954
 Frc consts  --      6.5527                 6.5569                 6.5842
 IR Inten    --     55.2162                34.3874                20.1074
 RamAct Fr= 1--     95.9839               720.2956               290.8792
  Dep-P Fr= 1--      0.7500                 0.1129                 0.1642
  Dep-U Fr= 1--      0.8571                 0.2030                 0.2821
 Alpha2 Fr= 1--      0.0001                12.2164                 4.3368
 Beta2  Fr= 1--     13.7117                24.3651                13.6750
 AlphaG Fr= 1--      0.0024                12.8807                -5.6937
 Gamma2 Fr= 1--     60.4224               -27.7496               -12.0687
 Delta2 Fr= 1--     -7.5668               103.7132               -17.0366
 Raman1 Fr= 1--     383.935               2881.182               1163.517
 ROA1   Fr= 1--    5558.413                654.859              -1703.765
 CID1   Fr= 1--      14.477                  0.227                 -1.464
 Raman2 Fr= 1--     164.540                292.381                164.100
 ROA2   Fr= 1--    1510.672              -1495.696               -153.355
 CID2   Fr= 1--       9.181                 -5.116                 -0.935
 Raman3 Fr= 1--     329.080                584.762                328.200
 ROA3   Fr= 1--    5558.413                654.859              -1703.765
 CID3   Fr= 1--      16.891                  1.120                 -5.191
 RC180  Fr= 1--       0.714                 -0.594                 -0.436
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.10  -0.11  -0.02
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.03  -0.03
     4   1     0.00   0.03   0.03     0.00   0.02   0.02     0.04   0.34   0.35
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.06   0.00  -0.04
     6   1     0.02  -0.00   0.01     0.02  -0.00   0.02     0.62  -0.01   0.48
     7   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02   0.00
     8   1    -0.02   0.03   0.00    -0.01   0.01   0.00     0.21  -0.25  -0.02
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.02  -0.02   0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    13   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   6    -0.01  -0.02  -0.02    -0.00  -0.01  -0.01     0.00   0.00   0.00
    15   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    17   6    -0.03  -0.00  -0.01    -0.04  -0.00  -0.01     0.00   0.00   0.00
    18   6    -0.01  -0.04  -0.02    -0.01  -0.03  -0.02     0.00   0.00   0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6     0.02  -0.02  -0.00    -0.03   0.03   0.01     0.00  -0.00  -0.00
    22   6     0.02   0.01   0.01    -0.04  -0.01  -0.01     0.00   0.00   0.00
    23   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   6     0.03  -0.02  -0.01    -0.02   0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.01  -0.03  -0.01     0.01   0.02   0.01    -0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    27   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    30   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.21   0.23   0.01    -0.10   0.11   0.00     0.04  -0.04  -0.00
    32   1     0.07   0.26   0.17     0.04   0.14   0.10    -0.01  -0.02  -0.02
    33   1     0.34   0.05   0.13     0.41   0.06   0.16    -0.01  -0.00  -0.00
    34   1     0.09   0.39   0.20     0.09   0.37   0.19    -0.00  -0.01  -0.00
    35   1    -0.25   0.25   0.05     0.34  -0.34  -0.06    -0.00   0.00   0.00
    36   1    -0.23  -0.05  -0.07     0.44   0.10   0.13    -0.01  -0.00  -0.00
    37   1    -0.27   0.23   0.07     0.18  -0.15  -0.05    -0.00   0.00   0.00
    38   1     0.08   0.34   0.12    -0.05  -0.19  -0.07     0.00   0.00   0.00
    39   1     0.01   0.05   0.02    -0.01  -0.03  -0.01     0.00   0.00   0.00
    40   1    -0.02  -0.01   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    41  35    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --   3208.9818              3223.4960              3242.0132
 Red. masses --      1.0937                 1.0915                 1.0902
 Frc consts  --      6.6355                 6.6821                 6.7511
 IR Inten    --      3.0703                 3.3139                 0.7994
 RamAct Fr= 1--    166.2591                34.2947                13.2814
  Dep-P Fr= 1--      0.2466                 0.0843                 0.1481
  Dep-U Fr= 1--      0.3956                 0.1555                 0.2580
 Alpha2 Fr= 1--      1.9893                 0.6239                 0.2063
 Beta2  Fr= 1--     10.9627                 0.8886                 0.5712
 AlphaG Fr= 1--     -0.5267                 1.2773                 1.1915
 Gamma2 Fr= 1--     -3.5519                -5.4056                 2.5343
 Delta2 Fr= 1--     -4.6532                 2.8630                 1.7030
 Raman1 Fr= 1--     665.036                137.179                 53.126
 ROA1   Fr= 1--    -489.884               -427.320                297.790
 CID1   Fr= 1--      -0.737                 -3.115                  5.605
 Raman2 Fr= 1--     131.553                 10.663                  6.854
 ROA2   Fr= 1--     -48.019               -152.638                 47.200
 CID2   Fr= 1--      -0.365                -14.315                  6.886
 Raman3 Fr= 1--     263.105                 21.326                 13.708
 ROA3   Fr= 1--    -489.884               -427.320                297.790
 CID3   Fr= 1--      -1.862                -20.038                 21.724
 RC180  Fr= 1--      -0.209                 -0.689                 -0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.00  -0.00  -0.00    -0.66   0.71   0.09    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.06  -0.06  -0.01     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.00  -0.00  -0.00
     4   1     0.00   0.00   0.00     0.02   0.14   0.15     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   1     0.00  -0.00   0.00     0.04  -0.00   0.03    -0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00     0.01  -0.02  -0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    17   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    18   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   6    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.08  -0.03   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    29   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.08  -0.03
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    36   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    38   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    39   1     0.04   0.20   0.07    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    40   1     0.92   0.32  -0.01     0.00   0.00   0.00    -0.01  -0.00   0.00
    41  35     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.20   0.90   0.38

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  1 and mass   1.00783
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  6 and mass  12.00000
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  6 and mass  12.00000
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number 35 and mass  78.91834
 Atom    42 has atomic number  1 and mass   1.00783
 Molecular mass:   406.03571 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  8249.80459********************
           X            0.99894  -0.02304   0.03991
           Y            0.02242   0.99962   0.01579
           Z           -0.04026  -0.01488   0.99908
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01050     0.00804     0.00584
 Rotational constants (GHZ):           0.21876     0.16762     0.12163
 Zero-point vibrational energy     850985.4 (Joules/Mol)
                                  203.39040 (Kcal/Mol)
 Warning -- explicit consideration of  31 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     44.91    71.26    79.14   122.66   135.64
          (Kelvin)            152.30   191.26   246.95   278.32   330.20
                              376.11   392.30   401.04   417.21   461.66
                              485.64   549.15   598.09   617.63   630.12
                              638.40   642.14   696.80   712.37   751.42
                              759.38   776.60   783.75   827.73   846.15
                              880.71   903.42   923.39   937.14   982.89
                              997.38  1018.11  1031.04  1087.76  1093.57
                             1100.54  1118.49  1126.88  1144.46  1172.96
                             1193.66  1207.06  1223.29  1230.64  1232.28
                             1245.93  1277.66  1336.29  1345.75  1350.73
                             1367.93  1371.09  1376.53  1383.23  1390.98
                             1394.33  1427.86  1461.96  1529.53  1546.24
                             1590.59  1617.85  1650.75  1684.13  1686.25
                             1700.37  1702.28  1709.63  1742.00  1754.63
                             1771.15  1784.08  1794.78  1801.34  1847.55
                             1872.60  1901.76  1960.45  1963.22  1983.05
                             1996.15  2003.39  2017.96  2052.18  2058.29
                             2096.83  2105.42  2124.33  2173.41  2180.53
                             2211.87  2229.66  2240.46  2284.78  2323.74
                             2354.80  2364.42  2377.46  2389.41  2393.34
                             4554.53  4555.60  4557.59  4558.70  4560.67
                             4565.26  4573.74  4581.27  4582.26  4584.29
                             4586.34  4595.43  4617.01  4637.89  4664.53
 
 Zero-point correction=                           0.324123 (Hartree/Particle)
 Thermal correction to Energy=                    0.342981
 Thermal correction to Enthalpy=                  0.343925
 Thermal correction to Gibbs Free Energy=         0.276791
 Sum of electronic and zero-point Energies=          -3574.171456
 Sum of electronic and thermal Energies=             -3574.152598
 Sum of electronic and thermal Enthalpies=           -3574.151654
 Sum of electronic and thermal Free Energies=        -3574.218788
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  215.224             79.570            141.295
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             43.895
 Rotational               0.889              2.981             35.531
 Vibrational            213.446             73.609             61.869
 Vibration     1          0.594              1.983              5.751
 Vibration     2          0.595              1.978              4.836
 Vibration     3          0.596              1.976              4.629
 Vibration     4          0.601              1.959              3.766
 Vibration     5          0.603              1.953              3.569
 Vibration     6          0.605              1.945              3.344
 Vibration     7          0.613              1.920              2.903
 Vibration     8          0.626              1.877              2.417
 Vibration     9          0.635              1.849              2.195
 Vibration    10          0.652              1.796              1.883
 Vibration    11          0.669              1.743              1.652
 Vibration    12          0.676              1.724              1.579
 Vibration    13          0.679              1.713              1.541
 Vibration    14          0.686              1.692              1.474
 Vibration    15          0.706              1.634              1.306
 Vibration    16          0.718              1.601              1.224
 Vibration    17          0.751              1.509              1.033
 Vibration    18          0.779              1.436              0.907
 Vibration    19          0.791              1.407              0.861
 Vibration    20          0.798              1.387              0.833
 Vibration    21          0.803              1.375              0.815
 Vibration    22          0.806              1.369              0.807
 Vibration    23          0.840              1.285              0.699
 Vibration    24          0.851              1.261              0.670
 Vibration    25          0.877              1.201              0.605
 Vibration    26          0.883              1.188              0.592
 Vibration    27          0.895              1.162              0.566
 Vibration    28          0.900              1.151              0.555
 Vibration    29          0.932              1.085              0.494
 Vibration    30          0.945              1.057              0.471
 Vibration    31          0.971              1.006              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.484223-127       -127.314955       -293.153517
 Total V=0       0.590543D+22         21.771252         50.130160
 Vib (Bot)       0.115866-142       -142.936043       -329.122402
 Vib (Bot)    1  0.663183D+01          0.821633          1.891881
 Vib (Bot)    2  0.417377D+01          0.620528          1.428819
 Vib (Bot)    3  0.375639D+01          0.574771          1.323459
 Vib (Bot)    4  0.241366D+01          0.382677          0.881146
 Vib (Bot)    5  0.217931D+01          0.338319          0.779008
 Vib (Bot)    6  0.193649D+01          0.287015          0.660876
 Vib (Bot)    7  0.153246D+01          0.185388          0.426872
 Vib (Bot)    8  0.117349D+01          0.069480          0.159985
 Vib (Bot)    9  0.103331D+01          0.014232          0.032770
 Vib (Bot)   10  0.858392D+00         -0.066314         -0.152694
 Vib (Bot)   11  0.742507D+00         -0.129299         -0.297722
 Vib (Bot)   12  0.707823D+00         -0.150075         -0.345561
 Vib (Bot)   13  0.690209D+00         -0.161019         -0.370760
 Vib (Bot)   14  0.659493D+00         -0.180790         -0.416283
 Vib (Bot)   15  0.585542D+00         -0.232442         -0.535217
 Vib (Bot)   16  0.550973D+00         -0.258870         -0.596070
 Vib (Bot)   17  0.473159D+00         -0.324993         -0.748324
 Vib (Bot)   18  0.423786D+00         -0.372854         -0.858527
 Vib (Bot)   19  0.406123D+00         -0.391342         -0.901099
 Vib (Bot)   20  0.395366D+00         -0.403000         -0.927942
 Vib (Bot)   21  0.388450D+00         -0.410665         -0.945592
 Vib (Bot)   22  0.385378D+00         -0.414113         -0.953530
 Vib (Bot)   23  0.344058D+00         -0.463369         -1.066945
 Vib (Bot)   24  0.333380D+00         -0.477060         -1.098472
 Vib (Bot)   25  0.308424D+00         -0.510852         -1.176281
 Vib (Bot)   26  0.303637D+00         -0.517646         -1.191924
 Vib (Bot)   27  0.293590D+00         -0.532258         -1.225570
 Vib (Bot)   28  0.289545D+00         -0.538284         -1.239445
 Vib (Bot)   29  0.266117D+00         -0.574927         -1.323818
 Vib (Bot)   30  0.256999D+00         -0.590069         -1.358684
 Vib (Bot)   31  0.240889D+00         -0.618183         -1.423419
 Vib (V=0)       0.141307D+07          6.150163         14.161275
 Vib (V=0)    1  0.715065D+01          0.854346          1.967203
 Vib (V=0)    2  0.470361D+01          0.672431          1.548330
 Vib (V=0)    3  0.428952D+01          0.632409          1.456175
 Vib (V=0)    4  0.296491D+01          0.472011          1.086846
 Vib (V=0)    5  0.273593D+01          0.437105          1.006472
 Vib (V=0)    6  0.250000D+01          0.397939          0.916289
 Vib (V=0)    7  0.211196D+01          0.324686          0.747618
 Vib (V=0)    8  0.177557D+01          0.249338          0.574123
 Vib (V=0)    9  0.164793D+01          0.216938          0.499518
 Vib (V=0)   10  0.149340D+01          0.174175          0.401053
 Vib (V=0)   11  0.139516D+01          0.144625          0.333011
 Vib (V=0)   12  0.136661D+01          0.135645          0.312334
 Vib (V=0)   13  0.135228D+01          0.131068          0.301795
 Vib (V=0)   14  0.132761D+01          0.123069          0.283377
 Vib (V=0)   15  0.126997D+01          0.103795          0.238996
 Vib (V=0)   16  0.124402D+01          0.094829          0.218351
 Vib (V=0)   17  0.118839D+01          0.074959          0.172599
 Vib (V=0)   18  0.115543D+01          0.062745          0.144476
 Vib (V=0)   19  0.114416D+01          0.058485          0.134667
 Vib (V=0)   20  0.113743D+01          0.055924          0.128770
 Vib (V=0)   21  0.113316D+01          0.054292          0.125011
 Vib (V=0)   22  0.113128D+01          0.053571          0.123351
 Vib (V=0)   23  0.110694D+01          0.044124          0.101599
 Vib (V=0)   24  0.110095D+01          0.041768          0.096175
 Vib (V=0)   25  0.108747D+01          0.036419          0.083857
 Vib (V=0)   26  0.108497D+01          0.035420          0.081556
 Vib (V=0)   27  0.107982D+01          0.033353          0.076798
 Vib (V=0)   28  0.107779D+01          0.032532          0.074909
 Vib (V=0)   29  0.106641D+01          0.027924          0.064296
 Vib (V=0)   30  0.106218D+01          0.026199          0.060325
 Vib (V=0)   31  0.105500D+01          0.023253          0.053543
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.321588D+09          8.507300         19.588783
 Rotational      0.129953D+08          7.113788         16.380102
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.000000727    0.000004053    0.000006644
      2        6           0.000003065   -0.000008672   -0.000011693
      3        6           0.000005941    0.000006058    0.000003857
      4        1           0.000003250   -0.000000312   -0.000001210
      5        6          -0.000001420    0.000009196    0.000008936
      6        1          -0.000001643   -0.000001817   -0.000002251
      7        6          -0.000003939    0.000008091   -0.000004810
      8        1           0.000002058    0.000003161    0.000000564
      9        6          -0.000015950   -0.000009385   -0.000001549
     10        6           0.000005293    0.000009405    0.000000391
     11        6           0.000009584   -0.000040956   -0.000007620
     12        6          -0.000016518    0.000008065    0.000010697
     13        6           0.000006271   -0.000004800    0.000006807
     14        6          -0.000007262   -0.000001457   -0.000010258
     15        6           0.000018885    0.000010771   -0.000000638
     16        6          -0.000013956    0.000003841    0.000000905
     17        6           0.000003065    0.000001092   -0.000006770
     18        6           0.000003315   -0.000006214    0.000010773
     19        6           0.000011601   -0.000001173   -0.000010189
     20        6          -0.000004594    0.000003861   -0.000004920
     21        6          -0.000010091   -0.000010591   -0.000000566
     22        6           0.000007979    0.000001826    0.000003474
     23        6           0.000005067    0.000001723   -0.000003205
     24        6          -0.000007370   -0.000004068    0.000003561
     25        6           0.000001717   -0.000001736    0.000001556
     26        6          -0.000010810   -0.000002813   -0.000003404
     27        6           0.000000015   -0.000004054   -0.000010698
     28        6          -0.000000874    0.000010449    0.000010827
     29        6           0.000003989   -0.000008066    0.000003091
     30        6           0.000000766    0.000004473    0.000020881
     31        1          -0.000002690   -0.000000595   -0.000000621
     32        1          -0.000002149   -0.000000099    0.000001827
     33        1          -0.000001215   -0.000001056   -0.000000142
     34        1          -0.000001101   -0.000000943   -0.000000714
     35        1           0.000000024   -0.000000617    0.000000755
     36        1           0.000000671    0.000001377   -0.000000171
     37        1           0.000002346   -0.000000317    0.000000985
     38        1           0.000002311   -0.000002531    0.000000409
     39        1           0.000000778   -0.000001359   -0.000000012
     40        1           0.000001457   -0.000001965    0.000000314
     41       35          -0.000008002   -0.000010758   -0.000003298
     42        1           0.000009405    0.000038910   -0.000012513
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000040956 RMS     0.000008145
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.451325D+03 -0.184933D+02  0.465362D+02
      2  -0.184933D+02  0.416204D+03  0.438390D+02
      3   0.465362D+02  0.438390D+02  0.245987D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.200357D+03 -0.371360D+02  0.148103D+03
      2  -0.116661D+03 -0.762051D+02 -0.548371D+02
      3   0.137462D+03  0.658829D+03 -0.234174D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.682728D+03  0.466493D+02 -0.320503D+03
      2   0.235863D+03  0.134393D+02 -0.218548D+02
      3   0.446865D+03 -0.600886D+02  0.342358D+03
      4   0.110539D+03 -0.373974D+03 -0.324118D+03
      5  -0.126400D+03 -0.196779D+03  0.496192D+02
      6  -0.305162D+03  0.106592D+03 -0.178635D+03
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.130222D+01  0.163727D+01 -0.233786D+00  0.649383D+00 -0.103207D+01
      2   0.163727D+01 -0.209817D+01  0.535941D+00 -0.103207D+01  0.228180D+01
      3  -0.233786D+00  0.535941D+00 -0.109035D+01 -0.429561D+00  0.309215D-01
                 6             7             8             9            10 
      1  -0.429561D+00 -0.169361D+00  0.174999D+00 -0.708907D+00 -0.415721D+01
      2   0.309215D-01  0.174999D+00 -0.311244D+00  0.105472D+01  0.819625D-01
      3   0.126522D+01 -0.708907D+00  0.105472D+01  0.160043D-01 -0.232920D+01
                11            12            13            14            15 
      1   0.819625D-01 -0.232920D+01 -0.223520D+01 -0.394842D+00 -0.157492D+01
      2  -0.693609D+00 -0.184619D+01 -0.394842D+00  0.215318D+01 -0.183441D+01
      3  -0.184619D+01 -0.757105D+01 -0.157492D+01 -0.183441D+01 -0.171857D+01
                16            17            18            19            20 
      1  -0.325655D+01 -0.228780D+00 -0.546174D+01  0.499536D+01 -0.987663D+00
      2  -0.228780D+00 -0.447461D+01  0.607526D+00 -0.987663D+00  0.332358D+01
      3  -0.546174D+01  0.607526D+00 -0.680394D+01  0.272165D+01  0.321048D+00
                21            22            23            24            25 
      1   0.272165D+01  0.281178D+01  0.193703D+01  0.238874D+01  0.365298D+01
      2   0.321048D+00  0.193703D+01  0.465317D+00  0.386121D+00 -0.132267D+01
      3  -0.350425D+00  0.238874D+01  0.386121D+00  0.837583D+00  0.382874D+01
                26            27            28            29            30 
      1  -0.132267D+01  0.382874D+01  0.763551D+00  0.271915D+00  0.137502D+01
      2   0.107301D+01 -0.178767D+01  0.271915D+00  0.628847D-01  0.687182D-01
      3  -0.178767D+01  0.112331D+02  0.137502D+01  0.687182D-01  0.178689D+01
                31            32            33            34            35 
      1   0.244950D+00  0.815595D+00  0.112900D+01  0.137029D+01  0.115193D+01
      2   0.815595D+00  0.208772D+01  0.295298D+01  0.115193D+01  0.197222D+01
      3   0.112900D+01  0.295298D+01  0.554136D+01  0.195612D+01  0.312567D+01
                36            37            38            39            40 
      1   0.195612D+01  0.512760D+01  0.124439D+01  0.182251D+01  0.759684D+01
      2   0.312567D+01  0.124439D+01  0.215422D+01  0.107937D+01 -0.156418D+01
      3   0.612627D+01  0.182251D+01  0.107937D+01  0.302775D+01  0.199210D+01
                41            42            43            44            45 
      1  -0.156418D+01  0.199210D+01  0.459002D+01 -0.392728D+01  0.542062D+01
      2   0.270890D+01 -0.505034D+00 -0.392728D+01  0.404678D+01 -0.319171D+01
      3  -0.505034D+00 -0.180844D+01  0.542062D+01 -0.319171D+01  0.984068D+01
                46            47            48            49            50 
      1   0.790445D+01 -0.142679D+01  0.611192D+01 -0.779611D+00  0.833627D+00
      2  -0.142679D+01  0.648388D+00 -0.132923D+01  0.833627D+00 -0.265837D+00
      3   0.611192D+01 -0.132923D+01  0.572964D+01  0.119162D+00  0.636223D+00
                51            52            53            54            55 
      1   0.119162D+00  0.544674D+01 -0.292698D+00  0.473176D+01 -0.769896D+00
      2   0.636223D+00 -0.292698D+00  0.317593D+00 -0.296492D+00  0.948022D+00
      3   0.100440D+01  0.473176D+01 -0.296492D+00  0.469445D+01 -0.331105D+01
                56            57            58            59            60 
      1   0.948022D+00 -0.331105D+01 -0.556808D+01  0.788343D+00 -0.522993D+01
      2  -0.186600D+01  0.206655D+01  0.788343D+00 -0.482726D+01  0.396768D+01
      3   0.206655D+01 -0.182501D+01 -0.522993D+01  0.396768D+01 -0.646214D+01
                61            62            63            64            65 
      1  -0.995261D+01  0.192751D+01 -0.558713D+01  0.506748D+01 -0.429761D+01
      2   0.192751D+01  0.652106D+00  0.173200D+00 -0.429761D+01  0.429373D+01
      3  -0.558713D+01  0.173200D+00 -0.608922D+01  0.103792D+01 -0.109493D+01
                66            67            68            69            70 
      1   0.103792D+01 -0.464191D+01  0.460507D+01 -0.440601D+00  0.454915D+00
      2  -0.109493D+01  0.460507D+01 -0.544761D+01  0.652148D+00  0.377584D-01
      3   0.681642D+00 -0.440601D+00  0.652148D+00 -0.417431D+00  0.501312D+00
                71            72            73            74            75 
      1   0.377584D-01  0.501312D+00  0.125022D+02 -0.320836D+01  0.113626D+02
      2  -0.657506D+00 -0.596328D+00 -0.320836D+01  0.211907D+01 -0.156026D+01
      3  -0.596328D+00  0.945914D-01  0.113626D+02 -0.156026D+01  0.108173D+02
                76            77            78            79            80 
      1  -0.165281D+02  0.361249D+01 -0.183890D+02 -0.213733D+01 -0.724003D-01
      2   0.361249D+01 -0.637881D+01 -0.343901D+00 -0.724003D-01 -0.532493D+00
      3  -0.183890D+02 -0.343901D+00 -0.209857D+02 -0.203882D+01 -0.220444D+01
                81            82            83            84            85 
      1  -0.203882D+01  0.178459D+02 -0.104940D+02  0.942450D+01  0.761200D+01
      2  -0.220444D+01 -0.104940D+02  0.181019D+02 -0.114371D+01 -0.185371D+01
      3  -0.522870D+01  0.942450D+01 -0.114371D+01  0.121637D+02  0.580446D+01
                86            87            88            89            90 
      1  -0.185371D+01  0.580446D+01  0.106582D+02 -0.616968D+01  0.127570D+02
      2  -0.117998D+01  0.210898D+01 -0.616968D+01  0.158471D+02 -0.460898D+01
      3   0.210898D+01  0.673038D+01  0.127570D+02 -0.460898D+01  0.140240D+02
                91            92            93            94            95 
      1  -0.221547D+02  0.494946D+01 -0.185644D+02  0.981846D+01 -0.317216D+00
      2   0.494946D+01 -0.553570D+01  0.145402D+01 -0.317216D+00  0.415825D+01
      3  -0.185644D+02  0.145402D+01 -0.183250D+02  0.128198D+02  0.924477D+00
                96            97            98            99           100 
      1   0.128198D+02 -0.398009D+01  0.295581D+01 -0.333204D+01  0.108714D+02
      2   0.924477D+00  0.295581D+01 -0.861635D+00  0.288615D+01  0.181728D+01
      3   0.148934D+02 -0.333204D+01  0.288615D+01 -0.284509D+01  0.965501D+01
               101           102           103           104           105 
      1   0.181728D+01  0.965501D+01  0.262978D+02 -0.225803D+02  0.153868D+02
      2  -0.529386D+01 -0.133229D+00 -0.225803D+02  0.402737D+02 -0.929813D+01
      3  -0.133229D+00  0.861866D+01  0.153868D+02 -0.929813D+01  0.989131D+01
               106           107           108           109           110 
      1   0.189463D+02 -0.102301D+02  0.134992D+02 -0.741722D+01 -0.486085D+01
      2  -0.102301D+02  0.168033D+02 -0.406627D+01 -0.486085D+01  0.826496D+01
      3   0.134992D+02 -0.406627D+01  0.117701D+02 -0.821363D+01  0.823970D+00
               111           112           113           114           115 
      1  -0.821363D+01 -0.290745D+02  0.263037D+02 -0.178456D+02 -0.154900D+02
      2   0.823970D+00  0.263037D+02 -0.464959D+02  0.121914D+02  0.946909D+01
      3  -0.555189D+01 -0.178456D+02  0.121914D+02 -0.114010D+02 -0.117276D+02
               116           117           118           119           120 
      1   0.946909D+01 -0.117276D+02 -0.222456D+02  0.190706D+02 -0.116883D+02
      2  -0.134684D+02  0.320864D+01  0.190706D+02 -0.330667D+02  0.837766D+01
      3   0.320864D+01 -0.102392D+02 -0.116883D+02  0.837766D+01 -0.901986D+01
               121           122           123           124           125 
      1   0.621503D+01 -0.124190D+02  0.390739D+01 -0.937569D+01  0.909838D+01
      2  -0.124190D+02  0.145376D+02 -0.478294D+01  0.909838D+01 -0.119095D+02
      3   0.390739D+01 -0.478294D+01  0.297458D+01 -0.650900D+01  0.180413D+01
               126           127           128           129           130 
      1  -0.650900D+01  0.200030D+02 -0.103602D+02  0.670297D+01  0.554113D+00
      2   0.180413D+01 -0.103602D+02  0.674018D+02 -0.570745D+01  0.148352D+02
      3  -0.117566D+02  0.670297D+01 -0.570745D+01  0.239762D+01 -0.774047D+00
               131           132           133           134           135 
      1   0.148352D+02 -0.774047D+00  0.608155D+01  0.141768D+01  0.154770D+01
      2   0.181072D+02  0.427281D+01  0.141768D+01  0.248231D+02 -0.335884D+00
      3   0.427281D+01 -0.377098D-01  0.154770D+01 -0.335884D+00  0.500803D+00
               136           137           138           139           140 
      1  -0.198109D+02  0.761140D+01 -0.586048D+01 -0.798610D+00 -0.874205D+01
      2   0.761140D+01 -0.672937D+02  0.657429D+01 -0.874205D+01 -0.147462D+02
      3  -0.586048D+01  0.657429D+01 -0.143639D+01 -0.595010D+00 -0.186689D+01
               141           142           143           144           145 
      1  -0.595010D+00 -0.463642D+01  0.138244D+01 -0.440109D+01 -0.115951D+02
      2  -0.186689D+01  0.138244D+01 -0.234630D+02  0.145034D+01 -0.128887D-01
      3  -0.420255D+00 -0.440109D+01  0.145034D+01 -0.215162D+01 -0.496695D+01
               146           147           148           149           150 
      1  -0.128887D-01 -0.496695D+01  0.109048D+02  0.929861D+00  0.915250D+01
      2  -0.124051D+02 -0.919102D-01  0.929861D+00  0.366364D+02 -0.186793D+01
      3  -0.919102D-01 -0.520017D+01  0.915250D+01 -0.186793D+01  0.741520D+01
               151           152           153           154           155 
      1   0.271825D+01  0.225803D+01 -0.321426D+01  0.172267D+02 -0.392140D+01
      2   0.225803D+01  0.559264D+01  0.235986D+00 -0.392140D+01  0.142057D+02
      3  -0.321426D+01  0.235986D+00 -0.469450D+01  0.130753D+02 -0.227059D+01
               156           157           158           159           160 
      1   0.130753D+02 -0.132439D+02 -0.160546D+01 -0.604992D+01  0.413916D+01
      2  -0.227059D+01 -0.160546D+01 -0.217074D+02  0.252702D+01 -0.123031D+00
      3   0.104649D+02 -0.604992D+01  0.252702D+01 -0.482364D+01  0.300800D+01
               161           162           163           164           165 
      1  -0.123031D+00  0.300800D+01  0.353022D+02  0.191112D+02 -0.178289D+01
      2   0.215021D+01 -0.533137D+01  0.191112D+02  0.304944D+02 -0.336479D+00
      3  -0.533137D+01 -0.558319D+00 -0.178289D+01 -0.336479D+00  0.731937D+00
               166           167           168           169           170 
      1  -0.163739D+02 -0.157741D+02 -0.397383D+00 -0.420114D+01 -0.456850D+01
      2  -0.157741D+02 -0.497411D+02 -0.222438D+01 -0.456850D+01 -0.149033D+02
      3  -0.397383D+00 -0.222438D+01 -0.235527D+00  0.588366D+00 -0.108665D+01
               171           172           173           174           175 
      1   0.588366D+00 -0.316430D+02 -0.178650D+02  0.184658D+01  0.211856D+02
      2  -0.108665D+01 -0.178650D+02 -0.275289D+02  0.115242D+01  0.214497D+02
      3  -0.310730D+00  0.184658D+01  0.115242D+01  0.634439D+00 -0.142340D+00
               176           177           178           179           180 
      1   0.214497D+02 -0.142340D+00  0.389325D+01  0.454285D+01 -0.183605D+01
      2   0.601010D+02  0.126246D+01  0.454285D+01  0.133311D+02  0.225117D+01
      3   0.126246D+01  0.159409D+00 -0.183605D+01  0.225117D+01  0.950252D+00
               181           182           183           184           185 
      1   0.147013D+02  0.904190D+01 -0.275867D+00  0.235923D+02  0.246072D+01
      2   0.904190D+01  0.104078D+02 -0.173942D+01  0.246072D+01  0.268647D+02
      3  -0.275867D+00 -0.173942D+01 -0.106655D+01  0.289967D+01 -0.414250D+01
               186           187           188           189           190 
      1   0.289967D+01  0.101615D+02  0.133613D+01 -0.304299D+01 -0.496744D+01
      2  -0.414250D+01  0.133613D+01  0.624426D+01  0.320309D+01 -0.440576D+01
      3   0.234077D+01 -0.304299D+01  0.320309D+01  0.669819D+00  0.178123D+01
               191           192           193           194           195 
      1  -0.440576D+01  0.178123D+01 -0.237886D+02  0.352262D+01 -0.296994D-01
      2   0.382914D+01 -0.146443D+01  0.352262D+01 -0.386393D+02  0.493145D+01
      3  -0.146443D+01 -0.120303D+01 -0.296994D-01  0.493145D+01 -0.117744D+01
               196           197           198           199           200 
      1  -0.485636D+01  0.178048D+01 -0.479165D+01 -0.166620D+02 -0.124340D+02
      2   0.178048D+01 -0.709406D+01 -0.673234D+00 -0.124340D+02 -0.914470D+01
      3  -0.479165D+01 -0.673234D+00 -0.237608D+01 -0.562457D-01  0.100187D+01
               201           202           203           204           205 
      1  -0.562457D-01 -0.409555D+02 -0.801086D+01  0.944784D+01 -0.181373D+02
      2   0.100187D+01 -0.801086D+01 -0.109277D+02  0.180263D+00 -0.254355D+01
      3  -0.124678D+00  0.944784D+01  0.180263D+00 -0.217366D+01  0.303854D+01
               206           207           208           209           210 
      1  -0.254355D+01  0.303854D+01 -0.279727D+02 -0.147391D+02  0.418527D+01
      2  -0.360336D+01 -0.117671D+01 -0.147391D+02 -0.367101D+02 -0.184506D+01
      3  -0.117671D+01 -0.150081D+01  0.418527D+01 -0.184506D+01 -0.437315D+01
               211           212           213           214           215 
      1  -0.131551D+02 -0.166145D+02  0.224686D+01 -0.182597D+01 -0.259906D+01
      2  -0.166145D+02 -0.366489D+02 -0.156948D+01 -0.259906D+01 -0.957577D+01
      3   0.224686D+01 -0.156948D+01 -0.811938D+00 -0.480779D+01  0.112891D+01
               216           217           218           219           220 
      1  -0.480779D+01  0.426120D+02  0.136055D+02 -0.855727D+01 -0.628855D+01
      2   0.112891D+01  0.136055D+02  0.303232D+02  0.128176D+01  0.179309D+00
      3   0.248429D+01 -0.855727D+01  0.128176D+01  0.452563D+01  0.193809D+01
               221           222           223           224           225 
      1   0.179309D+00  0.193809D+01 -0.449269D+01 -0.377561D+00  0.336566D+01
      2   0.998597D+01 -0.140963D+01 -0.377561D+00 -0.764634D+00  0.547358D+01
      3  -0.140963D+01  0.434689D+00  0.336566D+01  0.547358D+01  0.197147D+01
               226           227           228           229           230 
      1  -0.907235D+01  0.322703D+01  0.449798D+01  0.460466D+02  0.108213D+02
      2   0.322703D+01  0.186182D+01 -0.324277D+00  0.108213D+02  0.128045D+02
      3   0.449798D+01 -0.324277D+00 -0.160986D+01 -0.105562D+02 -0.138533D+00
               231           232           233           234           235 
      1  -0.105562D+02  0.165533D+02  0.336323D+01 -0.440174D+01 -0.517662D+01
      2  -0.138533D+00  0.336323D+01  0.282484D+01  0.147875D+01 -0.603637D+01
      3   0.212132D+01 -0.440174D+01  0.147875D+01  0.240379D+01 -0.788752D+00
               236           237           238           239           240 
      1  -0.603637D+01 -0.788752D+00  0.412251D+01  0.298008D+01 -0.252385D+00
      2  -0.643632D+01  0.653499D+00  0.298008D+01  0.408523D+01 -0.210446D+01
      3   0.653499D+00  0.205071D+00 -0.252385D+00 -0.210446D+01  0.815763D+00
               241           242           243           244           245 
      1   0.435727D+01  0.258735D+01  0.160154D+01  0.131615D+02  0.385962D+01
      2   0.258735D+01 -0.208440D+00  0.261328D+01  0.385962D+01  0.818942D+01
      3   0.160154D+01  0.261328D+01  0.237820D+01 -0.165378D+01  0.638708D+00
               246           247           248           249           250 
      1  -0.165378D+01  0.597526D+01 -0.387426D+01 -0.577936D+01  0.108858D+01
      2   0.638708D+00 -0.387426D+01 -0.307342D+01 -0.674181D+00 -0.421471D+01
      3   0.310331D+01 -0.577936D+01 -0.674181D+00  0.134430D+01  0.246330D+01
               251           252           253           254           255 
      1  -0.421471D+01  0.246330D+01  0.194880D+02  0.324974D+01 -0.474823D+01
      2  -0.474004D+01  0.184964D+01  0.324974D+01  0.447686D+01  0.442624D+00
      3   0.184964D+01 -0.121219D+01 -0.474823D+01  0.442624D+00  0.139900D+01
               256           257           258           259           260 
      1  -0.529993D+01  0.164822D+01  0.142828D+01 -0.585512D+01 -0.120889D+01
      2   0.164822D+01  0.269140D+01  0.126960D+00 -0.120889D+01  0.627634D+00
      3   0.142828D+01  0.126960D+00  0.875488D+00  0.396107D+01  0.909330D+00
               261           262           263           264           265 
      1   0.396107D+01 -0.242535D+02  0.527874D+00  0.806099D+01 -0.141480D+01
      2   0.909330D+00  0.527874D+00 -0.347149D+01 -0.172986D+01 -0.710365D+00
      3  -0.206038D+01  0.806099D+01 -0.172986D+01 -0.342222D+01  0.156168D+01
               266           267           268           269           270 
      1  -0.710365D+00  0.156168D+01  0.283927D+01  0.125221D+01 -0.160697D+01
      2  -0.306979D+01  0.768495D+00  0.125221D+01  0.360477D+01 -0.224303D+01
      3   0.768495D+00 -0.116722D+01 -0.160697D+01 -0.224303D+01 -0.841799D+00
               271           272           273           274           275 
      1   0.326207D+01 -0.426156D+01  0.653171D-01 -0.299395D+01  0.455848D+01
      2  -0.426156D+01  0.628571D+01 -0.121973D+00  0.455848D+01 -0.879157D+01
      3   0.653171D-01 -0.121973D+00  0.760773D+00  0.814121D+00 -0.104483D+01
               276           277           278           279           280 
      1   0.814121D+00  0.873637D+00  0.106507D+00  0.737304D+00 -0.818092D+00
      2  -0.104483D+01  0.106507D+00 -0.144329D+01 -0.548599D+00 -0.591472D+00
      3  -0.289647D+00  0.737304D+00 -0.548599D+00 -0.808001D-01 -0.107758D+01
               281           282           283           284           285 
      1  -0.591472D+00 -0.107758D+01 -0.162814D+00 -0.118571D+01 -0.343833D+00
      2  -0.179798D+01 -0.695889D+00 -0.118571D+01 -0.989550D+01 -0.469948D+01
      3  -0.695889D+00 -0.135847D+01 -0.343833D+00 -0.469948D+01 -0.311487D+01
               286           287           288           289           290 
      1  -0.966826D+00 -0.125634D+01 -0.653861D+00 -0.119823D+02 -0.317086D+01
      2  -0.125634D+01 -0.512024D+01 -0.346796D+01 -0.317086D+01 -0.114988D+01
      3  -0.653861D+00 -0.346796D+01 -0.197107D+01 -0.494724D+01 -0.114068D+01
               291           292           293           294           295 
      1  -0.494724D+01 -0.159733D+01 -0.204118D+01 -0.110177D+01 -0.470778D+01
      2  -0.114068D+01 -0.204118D+01  0.495776D-02 -0.813382D+00 -0.135051D+01
      3  -0.284535D+01 -0.110177D+01 -0.813382D+00 -0.952576D+00 -0.196256D+01
               296           297           298           299           300 
      1  -0.135051D+01 -0.196256D+01 -0.136728D+01 -0.227360D+01 -0.101345D+01
      2  -0.879033D+00 -0.106331D+01 -0.227360D+01 -0.143496D+01 -0.167187D+01
      3  -0.106331D+01 -0.101331D+01 -0.101345D+01 -0.167187D+01 -0.987924D+00
               301           302           303           304           305 
      1  -0.215800D+01 -0.351421D+01 -0.193297D+01 -0.109753D+01 -0.269097D+01
      2  -0.351421D+01 -0.961393D+01 -0.474060D+01 -0.269097D+01 -0.476471D+01
      3  -0.193297D+01 -0.474060D+01 -0.297728D+01 -0.130367D+01 -0.247119D+01
               306           307           308           309           310 
      1  -0.130367D+01 -0.879021D+01  0.577211D+01  0.358965D+00  0.628140D+01
      2  -0.247119D+01  0.577211D+01 -0.326116D+01 -0.560052D-01 -0.501422D+01
      3  -0.211209D+01  0.358965D+00 -0.560052D-01 -0.604051D+00 -0.642912D+00
               311           312           313           314           315 
      1  -0.501422D+01 -0.642912D+00  0.710035D+00 -0.818261D+00 -0.412656D+00
      2   0.550796D+01  0.705244D+00 -0.818261D+00  0.126854D+01 -0.209888D+00
      3   0.705244D+00  0.460711D+00 -0.412656D+00 -0.209888D+00  0.207698D+00
               316           317           318           319           320 
      1  -0.151074D+02 -0.783821D+00 -0.322082D+01 -0.193282D+01 -0.139503D+01
      2  -0.783821D+00 -0.158681D+00 -0.207105D+00 -0.139503D+01 -0.131533D+01
      3  -0.322082D+01 -0.207105D+00 -0.140695D+01 -0.847560D+00 -0.493342D+00
               321           322           323           324           325 
      1  -0.847560D+00 -0.417598D+01 -0.592039D+00 -0.101891D+01 -0.656826D+01
      2  -0.493342D+00 -0.592039D+00  0.868178D-01  0.335110D+00  0.474763D+01
      3  -0.302474D+00 -0.101891D+01  0.335110D+00 -0.583614D+00  0.148965D+01
               326           327           328           329           330 
      1   0.474763D+01  0.148965D+01  0.345840D+01 -0.520809D+01 -0.149667D+01
      2  -0.546592D+01 -0.131479D+01 -0.520809D+01  0.625537D+01  0.158481D+01
      3  -0.131479D+01 -0.854814D+00 -0.149667D+01  0.158481D+01  0.106191D+01
               331           332           333           334           335 
      1   0.106850D+01 -0.187168D+01 -0.485268D-01  0.111216D+01  0.180400D+01
      2  -0.187168D+01  0.992531D+00  0.977867D+00  0.180400D+01  0.230740D+01
      3  -0.485268D-01  0.977867D+00  0.209523D+00  0.225171D+00  0.442698D+00
               336           337           338           339           340 
      1   0.225171D+00  0.471153D+00  0.394686D+00  0.237027D+00 -0.347991D+00
      2   0.442698D+00  0.394686D+00  0.134336D+02  0.380161D+01 -0.160773D-01
      3   0.232517D+00  0.237027D+00  0.380161D+01  0.172906D+01 -0.247667D+00
               341           342           343           344           345 
      1  -0.160773D-01 -0.247667D+00  0.131607D+01  0.188720D+01  0.417711D+00
      2   0.469018D+01  0.114724D+01  0.188720D+01  0.263096D+01  0.524711D+00
      3   0.114724D+01  0.844157D+00  0.417711D+00  0.524711D+00  0.375192D+00
               346           347           348           349           350 
      1   0.142958D+01  0.340222D+01  0.106539D+01  0.672088D+00  0.900879D+00
      2   0.340222D+01  0.111136D+02  0.298117D+01  0.900879D+00  0.372679D+01
      3   0.106539D+01  0.298117D+01  0.151527D+01  0.249107D+00  0.131577D+01
               351           352           353           354           355 
      1   0.249107D+00  0.101068D+02  0.473506D+01 -0.423882D+00  0.319748D+01
      2   0.131577D+01  0.473506D+01  0.295997D+01 -0.150331D+00  0.247755D+01
      3   0.699588D+00 -0.423882D+00 -0.150331D+00  0.723311D+00  0.400228D+00
               356           357           358           359           360 
      1   0.247755D+01  0.400228D+00 -0.837826D-02  0.473229D+00  0.783615D-01
      2   0.222412D+01  0.163473D+00  0.473229D+00  0.577489D+00  0.169171D+00
      3   0.163473D+00  0.249991D+00  0.783615D-01  0.169171D+00  0.323775D+00
               361           362           363           364           365 
      1   0.118956D+02 -0.233248D+01 -0.262584D+01  0.132815D+01  0.583640D+01
      2  -0.233248D+01  0.179949D+01  0.185273D+00  0.583640D+01 -0.293271D+01
      3  -0.262584D+01  0.185273D+00  0.219163D+01 -0.205833D+00 -0.264592D+01
               366           367           368           369           370 
      1  -0.205833D+00 -0.454187D+00  0.838915D+00  0.557560D+01 -0.143119D+01
      2  -0.264592D+01  0.838915D+00 -0.118747D+01 -0.146102D+01 -0.737359D+00
      3  -0.112577D+01  0.557560D+01 -0.146102D+01 -0.656227D+01  0.121475D+00
               371           372           373           374           375 
      1  -0.737359D+00  0.121475D+00 -0.802484D+00 -0.540816D+00  0.318413D+00
      2  -0.132956D+01  0.350550D+00 -0.540816D+00 -0.278420D+01  0.432242D-01
      3   0.350550D+00 -0.343693D+00  0.318413D+00  0.432242D-01 -0.125880D+01
               376           377           378 
      1  -0.150574D+00 -0.580599D+00  0.206377D+00
      2  -0.580599D+00 -0.129036D+01 -0.578546D+00
      3   0.206377D+00 -0.578546D+00 -0.450277D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.762819D+01 -0.121370D+02  0.297632D+01 -0.680122D+01  0.139758D+02
      2   0.702374D+01 -0.900540D+01  0.382821D+01 -0.478552D+01  0.816809D+01
      3  -0.410386D+01  0.121816D+01  0.263143D+00  0.663248D+01 -0.689673D+01
                 6             7             8             9            10 
      1  -0.305298D+01  0.950757D+00  0.104672D+01  0.489237D+01 -0.163508D+02
      2  -0.129247D+01  0.132712D+01 -0.102023D+01  0.342298D+01  0.876150D+01
      3   0.265469D+01 -0.220041D+01 -0.342184D+00 -0.391284D+01  0.263862D+02
                11            12            13            14            15 
      1   0.585958D+01 -0.337819D+02 -0.121406D+02  0.159718D+02 -0.156231D+02
      2   0.643484D+01 -0.415053D+01  0.348797D+01  0.750777D+01  0.361811D+01
      3  -0.150278D+02  0.379602D+02  0.219164D+02 -0.218820D+02  0.156053D+02
                16            17            18            19            20 
      1  -0.176476D+02 -0.540169D+01 -0.606492D+01  0.135495D+02  0.477346D+01
      2  -0.113507D+02  0.833521D+01  0.230048D+01 -0.168764D+00 -0.197278D+01
      3   0.256449D+02 -0.882086D+01  0.252273D+02 -0.233804D+02  0.602690D+01
                21            22            23            24            25 
      1   0.166900D+02  0.143162D+02  0.965752D+01  0.866060D+00  0.786221D+01
      2   0.338769D+01 -0.242186D+01 -0.731753D+01 -0.412296D+01 -0.696325D+01
      3  -0.299184D+02 -0.125087D+02 -0.263115D+02 -0.290862D+01 -0.230258D+02
                26            27            28            29            30 
      1  -0.670289D+00  0.235783D+02  0.257042D+01 -0.161172D+01  0.212860D+01
      2   0.549539D+01  0.712981D+01  0.216821D+00 -0.140273D+01 -0.159997D+00
      3   0.146370D+02 -0.349014D+02 -0.328168D+01  0.159198D+01 -0.418447D+01
                31            32            33            34            35 
      1   0.376786D+01  0.135109D+02  0.158350D+02  0.726758D+01  0.155128D+02
      2  -0.291068D+00  0.224561D+01  0.681589D+01 -0.354818D+01  0.152126D+01
      3  -0.135538D+01 -0.805924D+01 -0.131283D+02 -0.314123D+01 -0.987263D+01
                36            37            38            39            40 
      1   0.177346D+02  0.166019D+02  0.601901D+01  0.669941D+01  0.893470D+01
      2   0.225407D+01 -0.788578D+01 -0.240013D+01  0.860302D+00 -0.134028D+02
      3  -0.109705D+02 -0.293223D+02 -0.161701D+02 -0.112353D+02 -0.328177D+02
                41            42            43            44            45 
      1  -0.907263D+01  0.559953D+01  0.939274D+01 -0.101096D+01  0.294632D+02
      2  -0.996977D+00 -0.159514D+01  0.127430D+01 -0.190685D+01  0.115551D+02
      3   0.127282D+02 -0.132700D+02 -0.227648D+02  0.317909D+02 -0.276003D+02
                46            47            48            49            50 
      1   0.898760D+01  0.725845D+00  0.835909D+01  0.218511D+01  0.674862D+00
      2  -0.956324D+01  0.424424D+00 -0.113673D+01  0.392263D+01 -0.143034D+01
      3  -0.165190D+02 -0.316864D-01 -0.123680D+02  0.700497D+00 -0.978621D+00
                51            52            53            54            55 
      1   0.406912D+01  0.107023D+02  0.244424D+01  0.970275D+01 -0.236634D+02
      2   0.323027D+01 -0.773150D+01  0.643606D+00 -0.260745D+01 -0.121927D+02
      3  -0.250183D+01 -0.159279D+02 -0.282588D+01 -0.136533D+02  0.169524D+02
                56            57            58            59            60 
      1   0.182142D+02 -0.165188D+02 -0.212243D+02  0.381372D+01 -0.227185D+02
      2   0.164656D+02  0.284110D+01  0.327450D+01  0.123825D+02 -0.257111D+01
      3  -0.252353D+02  0.173888D+02  0.340507D+02 -0.341886D+01  0.191869D+02
                61            62            63            64            65 
      1  -0.279180D+02  0.261672D+02 -0.297230D+02 -0.548476D+01  0.500769D+01
      2  -0.432760D+01  0.579318D+01 -0.184803D+02 -0.770915D+01  0.572213D+01
      3   0.580995D+02 -0.493971D+02  0.421238D+02 -0.850295D+01  0.217869D+01
                66            67            68            69            70 
      1   0.341463D+00  0.720219D+01 -0.863186D+01 -0.307330D+01  0.738421D+00
      2   0.514429D+00  0.898342D+01 -0.894525D+01 -0.200400D+01 -0.137634D+01
      3   0.896610D-01  0.824634D+01 -0.340094D+01  0.104236D+01 -0.755039D+00
                71            72            73            74            75 
      1  -0.260956D+01 -0.142357D+01  0.516968D+02 -0.258989D+02  0.515111D+02
      2  -0.728288D+00 -0.137880D+01  0.200000D+02 -0.761172D+01  0.164886D+02
      3   0.332761D+01  0.392752D+00 -0.905204D+02  0.525057D+02 -0.821987D+02
                76            77            78            79            80 
      1  -0.802034D+02 -0.319583D+02 -0.979738D+02 -0.134349D+01 -0.237188D+02
      2  -0.229042D+01 -0.243846D+02 -0.934791D+01 -0.352126D+01 -0.144014D+02
      3   0.131975D+03 -0.215271D+01  0.160147D+03  0.206445D+02  0.374171D+02
                81            82            83            84            85 
      1  -0.157367D+02  0.450021D+02 -0.504535D+01  0.513477D+02  0.183768D+02
      2  -0.112762D+02  0.198004D+02 -0.210696D+00  0.149267D+02  0.624640D+01
      3   0.318753D+02 -0.152676D+03  0.996311D+02 -0.862372D+02 -0.587096D+02
                86            87            88            89            90 
      1   0.255885D+02  0.250399D+02  0.627297D+02 -0.527214D+01  0.737123D+02
      2   0.166061D+02  0.842890D+01 -0.260876D+01  0.829195D+01  0.516810D+01
      3  -0.971110D+01 -0.579714D+02 -0.959992D+02  0.548213D+02 -0.119722D+03
                91            92            93            94            95 
      1  -0.490585D+02 -0.129448D+02 -0.561445D+02  0.382292D+02  0.453988D+01
      2   0.243286D+02 -0.182907D+02  0.158384D+02  0.677112D+00  0.322989D+01
      3   0.960616D+02 -0.328385D+02  0.898996D+02 -0.643603D+02  0.539671D+01
                96            97            98            99           100 
      1   0.430580D+02  0.302157D+01 -0.110200D+02  0.104980D+01  0.152311D+02
      2  -0.556186D+01  0.513941D+01 -0.110225D+02 -0.370419D+01 -0.635648D+01
      3  -0.761133D+02 -0.141537D+01  0.243436D+02  0.336094D+01 -0.342904D+02
               101           102           103           104           105 
      1   0.878700D+01  0.188508D+02  0.641507D+02 -0.385886D+02  0.334198D+02
      2   0.128377D+02  0.159807D+00  0.108848D+02 -0.850244D+00  0.353418D+01
      3  -0.427058D+02 -0.413209D+02 -0.172321D+03  0.211374D+03 -0.819811D+02
               106           107           108           109           110 
      1   0.362575D+02 -0.172204D+01  0.280592D+02 -0.266743D+02 -0.196001D+02
      2  -0.165104D+02  0.958312D+00 -0.167252D+02  0.155569D+01 -0.203505D+02
      3  -0.860317D+02  0.123857D+03 -0.575441D+02  0.626277D+02  0.566192D+02
               111           112           113           114           115 
      1  -0.251005D+02 -0.954763D+02  0.694221D+02 -0.545745D+02 -0.503728D+02
      2  -0.689859D+01 -0.191824D+02  0.237075D+02 -0.746177D+01 -0.267503D+02
      3   0.593077D+02  0.244005D+03 -0.330748D+03  0.134766D+03  0.119954D+03
               116           117           118           119           120 
      1   0.314744D+02 -0.367067D+02 -0.629688D+02  0.469873D+02 -0.440443D+02
      2   0.127488D+02 -0.990498D+01 -0.126865D+02  0.127373D+02 -0.540337D+01
      3  -0.107281D+03  0.734378D+02  0.195691D+03 -0.218759D+03  0.108244D+03
               121           122           123           124           125 
      1   0.272680D+02 -0.344078D+02  0.144076D+02 -0.361586D+02  0.176896D+02
      2   0.117724D+02 -0.173866D+02  0.527480D+01 -0.182298D+02  0.125546D+02
      3  -0.590559D+02  0.133136D+03 -0.326206D+02  0.721047D+02 -0.875228D+02
               126           127           128           129           130 
      1  -0.525026D+02  0.449410D+02 -0.732574D+02  0.159184D+02 -0.528001D+01
      2  -0.110424D+02  0.102375D+02 -0.369756D+02  0.474267D+01 -0.106265D+02
      3   0.548006D+02 -0.627097D+02  0.362159D+03 -0.279501D+02  0.808400D+02
               131           132           133           134           135 
      1  -0.173011D+02  0.210722D+00  0.569792D+01 -0.680619D+01 -0.553327D+01
      2  -0.179529D+02 -0.166529D+01 -0.198051D+02 -0.156775D+02 -0.701817D+01
      3   0.780771D+02  0.204355D+02  0.292558D+02  0.139174D+03  0.357554D+01
               136           137           138           139           140 
      1  -0.478891D+02  0.939258D+02 -0.187601D+02  0.752058D+01  0.178390D+02
      2  -0.114161D+02  0.704083D+02 -0.701977D+01  0.224079D+02  0.213189D+02
      3   0.692353D+02 -0.480201D+03  0.435329D+02 -0.684403D+02 -0.967093D+02
               141           142           143           144           145 
      1   0.653071D+00 -0.118314D+02  0.589540D+02 -0.214794D+01 -0.174455D+02
      2   0.637494D+01  0.550249D+00  0.305282D+02  0.957052D+00 -0.112291D+02
      3  -0.168026D+02 -0.893519D+01 -0.162362D+03  0.512446D+01  0.518504D+02
               146           147           148           149           150 
      1   0.512681D+01 -0.170617D+02  0.328381D+02 -0.675930D+02  0.266477D+02
      2   0.111704D+02  0.600926D+01 -0.810245D+01 -0.497592D+02 -0.616068D+01
      3  -0.772248D+02  0.212656D+02 -0.179846D+02  0.259587D+03 -0.329531D+02
               151           152           153           154           155 
      1  -0.132431D+02  0.107221D+02 -0.108457D+02  0.557667D+02 -0.203755D+02
      2   0.114825D+02 -0.787184D+01  0.925176D+01  0.212397D+02 -0.208331D+02
      3   0.174016D+01  0.458859D+02  0.141541D+02 -0.122140D+03  0.113052D+03
               156           157           158           159           160 
      1   0.415198D+02 -0.211620D+02  0.319361D+02 -0.216625D+02  0.944287D+01
      2   0.569512D+01 -0.229886D+01  0.109495D+02  0.304682D+01 -0.772500D+01
      3  -0.778740D+02  0.409846D+02 -0.133978D+03  0.342662D+02 -0.451889D+02
               161           162           163           164           165 
      1  -0.899596D+01  0.918016D+01 -0.113022D+02 -0.418141D+02  0.195751D+01
      2   0.286876D+02  0.102755D+02 -0.121760D+02 -0.136479D+02 -0.109648D+01
      3   0.144767D+02 -0.554230D+02  0.146091D+03  0.165351D+03 -0.116437D+01
               166           167           168           169           170 
      1  -0.222892D+01  0.381400D+02  0.645891D+00 -0.832503D+01  0.378695D+02
      2   0.195638D+02  0.263104D+02  0.217941D+01 -0.189480D+02  0.141838D+02
      3  -0.119940D+03 -0.235848D+03 -0.166735D+02 -0.643487D+01 -0.883175D+02
               171           172           173           174           175 
      1  -0.539329D+01  0.233765D+02  0.414333D+02  0.178231D+01 -0.101389D+01
      2   0.224208D+01  0.436524D+02  0.267478D+02 -0.146794D+00 -0.128042D+02
      3  -0.915087D+00 -0.232510D+03 -0.211650D+03  0.277206D+01  0.160375D+03
               176           177           178           179           180 
      1  -0.693819D+02  0.506964D+01  0.116195D+02 -0.766265D+00  0.185366D+01
      2  -0.545159D+02 -0.180114D+01 -0.107635D+02 -0.258080D+02 -0.639723D+01
      3   0.386504D+03  0.727475D+01  0.104420D+02  0.948421D+02  0.336483D+01
               181           182           183           184           185 
      1  -0.195248D+02 -0.235182D+02  0.700228D+00 -0.167545D+01 -0.408560D+02
      2  -0.276758D+02 -0.934314D+01  0.379533D+01 -0.188724D+02 -0.194084D+02
      3   0.133759D+03  0.980787D+02 -0.783908D+01  0.791977D+02  0.198337D+03
               186           187           188           189           190 
      1  -0.126116D+01  0.144080D+02 -0.436638D+01 -0.305521D+01  0.101422D+02
      2  -0.820534D+01 -0.199411D+01 -0.409017D+02 -0.960277D+01  0.502790D+01
      3  -0.181578D+02  0.299971D+02  0.551191D+02  0.167606D+02 -0.521143D+02
               191           192           193           194           195 
      1  -0.108077D+02  0.337909D+01 -0.248669D+02  0.499050D+02 -0.639958D+01
      2  -0.754102D+01  0.946171D+01 -0.117122D+02  0.421769D+02  0.270636D+00
      3   0.354004D+02 -0.107465D+02 -0.395328D+01 -0.291404D+03  0.344941D+02
               196           197           198           199           200 
      1   0.361943D+00  0.344420D+02  0.585871D+01  0.405131D+01  0.163113D+02
      2   0.187764D+02  0.219705D+02  0.115415D+02 -0.673977D+01 -0.554291D+01
      3  -0.724597D+01 -0.450489D+02 -0.138208D+02 -0.489704D+02 -0.378519D+02
               201           202           203           204           205 
      1   0.785828D+00  0.238333D+01  0.120165D+02 -0.106703D+01 -0.656603D+00
      2  -0.125755D+01  0.158503D+02 -0.133332D+00 -0.206418D+01 -0.611910D+01
      3  -0.121696D+01 -0.197873D+03 -0.523249D+02  0.443992D+02 -0.889960D+02
               206           207           208           209           210 
      1   0.233648D+02  0.252830D+01  0.575454D+01  0.403147D+02  0.113578D+02
      2  -0.380214D+00  0.323441D+01  0.250057D+02  0.329487D+02  0.511613D+01
      3  -0.525044D+02  0.176872D+02 -0.200367D+03 -0.228251D+03  0.163715D+02
               211           212           213           214           215 
      1  -0.629270D+01  0.383328D+02 -0.286439D+01  0.309464D+02  0.177298D+02
      2   0.127054D+02  0.428873D+02  0.390751D+00  0.941597D+00 -0.307924D+01
      3  -0.113942D+03 -0.256631D+03  0.514663D+01 -0.254577D+02 -0.558383D+02
               216           217           218           219           220 
      1  -0.590716D+01 -0.682154D+01 -0.393898D+02 -0.711493D+01  0.533951D+01
      2  -0.441378D+00 -0.370454D+02 -0.170052D+02  0.219368D+01  0.960917D+01
      3  -0.222214D+02  0.293868D+03  0.162678D+03 -0.484305D+02 -0.351120D+02
               221           222           223           224           225 
      1   0.588547D+01 -0.730335D+01 -0.133920D+02 -0.203195D+02 -0.107097D+02
      2  -0.825397D+01 -0.363894D+01 -0.199471D+02 -0.159175D+02 -0.757148D+01
      3   0.571497D+02  0.113695D+02 -0.324115D+02  0.102344D+02  0.423695D+02
               226           227           228           229           230 
      1   0.218083D+01 -0.330069D+00 -0.137615D+01  0.519954D+01 -0.262523D+02
      2  -0.432802D+01 -0.180981D+02 -0.338583D+01 -0.331016D+02 -0.244161D+01
      3  -0.422545D+02  0.830622D+02  0.204186D+02  0.316572D+03  0.834622D+02
               231           232           233           234           235 
      1   0.395869D+01 -0.190939D+01 -0.783435D+00 -0.360306D+01 -0.387335D+01
      2   0.871502D+01 -0.319347D+02 -0.567084D+01  0.661263D+01  0.110961D+02
      3  -0.747776D+02  0.104274D+03  0.227425D+02 -0.254195D+02 -0.598257D+02
               236           237           238           239           240 
      1   0.318003D+01  0.178548D+01  0.672470D+00  0.218658D+01 -0.461302D+01
      2   0.178964D+02 -0.255516D+01  0.175055D+01 -0.335874D+01  0.182237D+01
      3  -0.861727D+02  0.738337D+01  0.287550D+02  0.494156D+01 -0.260024D+01
               241           242           243           244           245 
      1  -0.915355D+01 -0.903371D+01 -0.901289D+01 -0.576282D+00 -0.659345D+01
      2  -0.189232D+02  0.324503D+01  0.105407D+02 -0.514378D+01 -0.599435D+01
      3   0.286426D+02  0.289451D+02 -0.658452D+00  0.684683D+02  0.324266D+02
               246           247           248           249           250 
      1  -0.923674D+01  0.148604D+02  0.308397D+01 -0.126967D+01 -0.140331D+02
      2   0.855540D+01 -0.590451D+00 -0.152834D+01 -0.399944D+01  0.639087D+01
      3  -0.805394D+01  0.765816D+01 -0.237415D+02 -0.102470D+02 -0.221700D+00
               251           252           253           254           255 
      1   0.580543D+01  0.823623D+01  0.680817D+01  0.224540D+01 -0.528478D+01
      2   0.900214D+01 -0.505720D+01 -0.228456D+02 -0.285377D+01  0.161223D+01
      3  -0.222047D+02  0.171270D+02  0.136136D+03  0.292672D+02 -0.458041D+02
               256           257           258           259           260 
      1   0.472248D+01 -0.119227D+02 -0.479314D+01 -0.105725D+02  0.784730D+01
      2  -0.339168D+01  0.331195D+01  0.802628D+01 -0.126364D+02 -0.253026D+01
      3   0.278816D+01  0.793574D+01 -0.136795D+02 -0.234117D+02 -0.178671D+02
               261           262           263           264           265 
      1   0.947617D+01 -0.905448D+01  0.228762D+01  0.487454D+01 -0.457680D+01
      2   0.745569D+01  0.989859D+01  0.879899D+01  0.697585D+00  0.468575D+01
      3   0.134932D+02 -0.133261D+03 -0.317619D+02  0.427597D+02 -0.321287D+01
               266           267           268           269           270 
      1  -0.157624D+01 -0.451841D+00  0.227862D+01  0.538001D+01  0.410150D+01
      2  -0.636697D+00 -0.368723D+01 -0.118236D+02 -0.458341D+01 -0.290781D+01
      3   0.187317D+02  0.818054D+01 -0.232011D+01 -0.652195D+01  0.862293D+01
               271           272           273           274           275 
      1   0.219820D+01 -0.237764D+01  0.565250D+01  0.325006D+01 -0.360653D+01
      2   0.123666D+01 -0.118709D+01  0.281183D+01 -0.434842D+00  0.122238D+01
      3  -0.173315D+02  0.171867D+02 -0.235909D+01  0.164787D+02 -0.206195D+02
               276           277           278           279           280 
      1  -0.235360D+01  0.240054D+01  0.623050D+00 -0.289104D+00 -0.519646D+01
      2  -0.109106D+01  0.913403D+00  0.222403D+00  0.218844D+00 -0.129679D+01
      3  -0.543830D+01 -0.891875D+01  0.101482D+01 -0.510667D+01  0.615222D+01
               281           282           283           284           285 
      1  -0.127069D+01 -0.678707D+01 -0.982722D+00 -0.116982D+02 -0.126063D+02
      2   0.277200D+00 -0.312489D+00 -0.109957D+01  0.155339D+01  0.193667D+01
      3  -0.324498D+01  0.659699D+01  0.921964D+00 -0.297194D+01 -0.248233D+01
               286           287           288           289           290 
      1  -0.102389D+01 -0.857750D+01 -0.567539D+01 -0.853054D+01  0.347591D+00
      2  -0.200006D+01  0.420341D+00  0.106967D+01  0.178479D+01  0.941434D+00
      3   0.697753D+01  0.290287D+01 -0.101604D+00  0.128833D+02 -0.231248D+01
               291           292           293           294           295 
      1  -0.565312D+01 -0.904778D-01 -0.187058D+01 -0.166615D+01 -0.122193D+01
      2   0.722669D+01  0.371488D+01 -0.115054D+01  0.276805D+01 -0.188853D+01
      3   0.601780D+01 -0.576398D+01  0.803952D+01 -0.672109D+00  0.506784D+01
               296           297           298           299           300 
      1  -0.153323D+01 -0.201796D+00  0.535119D+00 -0.356503D+01 -0.973358D+00
      2   0.116699D+01  0.217773D+01  0.267362D+01  0.174168D+01  0.345482D+01
      3  -0.401681D-01 -0.166585D+01 -0.611924D+01  0.343257D+01 -0.496265D+01
               301           302           303           304           305 
      1  -0.121216D+01  0.156069D+00 -0.507881D+01  0.703005D+00  0.230141D+01
      2   0.154121D+01  0.124847D+02  0.801731D+01  0.203527D+01  0.225619D+01
      3  -0.191330D+01 -0.270215D+02 -0.121097D+02 -0.598302D+01 -0.890128D+01
               306           307           308           309           310 
      1  -0.341239D+01 -0.339553D+01  0.568174D+00  0.264545D+01  0.344080D+01
      2   0.427788D+01 -0.372398D+01  0.586102D-03  0.436973D+01  0.388243D+01
      3  -0.414027D+01  0.125635D+02 -0.587328D+01  0.491220D+00 -0.969856D+01
               311           312           313           314           315 
      1  -0.464276D+01 -0.344146D+01 -0.177846D+00  0.900072D+00 -0.208214D+00
      2  -0.678132D+01 -0.429332D+01 -0.780150D+00  0.251006D+01 -0.344999D+00
      3   0.219344D+02  0.334542D+01 -0.164688D+01  0.661620D+01 -0.306927D+01
               316           317           318           319           320 
      1   0.141360D+01  0.641264D+00  0.297646D+00  0.980791D+00  0.279341D+01
      2   0.725645D+01  0.293010D+00  0.847394D+01  0.387076D+01  0.407228D+01
      3  -0.157679D+02 -0.307208D+01 -0.438384D+01 -0.753290D+01 -0.119805D+02
               321           322           323           324           325 
      1   0.675288D-01  0.633302D-02  0.179654D+00 -0.757531D+00 -0.171669D+01
      2   0.234410D+01 -0.438294D+00 -0.166653D+01  0.152870D+01  0.248880D+01
      3  -0.372738D+01 -0.668117D+01 -0.325523D+01  0.207446D+01 -0.165902D+02
               326           327           328           329           330 
      1   0.239267D+01  0.389070D+01  0.408163D+01 -0.124192D+01 -0.470583D+01
      2   0.349144D+00  0.322485D+01  0.169418D+01  0.146040D+00 -0.297186D+01
      3  -0.997326D+00  0.186938D+01 -0.245012D+00 -0.383992D+01 -0.197370D+01
               331           332           333           334           335 
      1  -0.324770D+01 -0.748239D+00 -0.108059D+01 -0.111696D+01 -0.114914D+01
      2  -0.173598D+01 -0.199226D-01 -0.126568D+01 -0.268678D+01 -0.249352D+01
      3  -0.144694D+01 -0.695643D+01  0.436622D+01  0.131894D+02  0.124004D+02
               336           337           338           339           340 
      1  -0.118534D+01 -0.131775D+01 -0.796455D+01 -0.845963D+01  0.292023D+01
      2   0.149534D+00 -0.173629D+01 -0.717849D+01 -0.242640D+01  0.826640D+00
      3   0.103800D+01  0.562828D+01  0.260305D+02  0.921376D+01 -0.231173D+01
               341           342           343           344           345 
      1   0.257185D+01 -0.248516D+01 -0.133904D+01 -0.932931D+00 -0.157277D+01
      2  -0.730191D+00 -0.789608D-01  0.913321D+00 -0.393042D-01  0.658654D+00
      3   0.716869D+01 -0.766044D+00  0.122815D+00  0.222723D+01  0.191142D+01
               346           347           348           349           350 
      1  -0.288761D+01 -0.740953D+01 -0.820603D+01 -0.533582D+00 -0.122352D+01
      2   0.109783D-01  0.372422D+01  0.275499D+01 -0.584657D+00  0.477537D+00
      3   0.465310D+01 -0.143034D+01 -0.187924D-01  0.279331D+01 -0.333426D+01
               351           352           353           354           355 
      1  -0.248939D+01 -0.241953D+00 -0.371527D+00 -0.298505D+01 -0.257556D+01
      2   0.510439D+00 -0.131628D+01 -0.439160D+00  0.463451D+01  0.262599D+01
      3  -0.128489D+00  0.292632D+02  0.770273D+01 -0.185200D+01  0.554465D+01
               356           357           358           359           360 
      1  -0.125234D+01 -0.110863D+01  0.107140D+01  0.342856D+00 -0.719498D+00
      2   0.101833D+01  0.118476D+01 -0.158308D+01 -0.901112D+00  0.905500D+00
      3   0.274702D+01  0.234674D+01 -0.468397D+01  0.945024D+00 -0.285394D+00
               361           362           363           364           365 
      1   0.372474D+01 -0.526765D+01 -0.145897D+01 -0.112270D+01  0.100032D+02
      2   0.526939D+01  0.111218D+01  0.148742D+02 -0.328310D+01 -0.630532D+01
      3   0.951302D+01 -0.331702D+02  0.117505D+01  0.749501D+01  0.336437D+02
               366           367           368           369           370 
      1  -0.549306D+01 -0.890776D+01  0.134033D+02  0.897008D+01  0.646679D-01
      2  -0.482627D+01 -0.100392D+01 -0.555120D+01 -0.116260D+02 -0.200720D+01
      3   0.280038D+01  0.892720D+01  0.151395D+02  0.197222D+02  0.985523D+00
               371           372           373           374           375 
      1   0.311016D+01 -0.411199D+00  0.133975D+00  0.588069D+01 -0.725311D+00
      2  -0.215482D+01 -0.821834D-01 -0.273373D+01 -0.430753D+01  0.539812D-01
      3   0.252989D+00  0.142884D+01  0.698806D+01  0.130612D+02 -0.588118D+00
               376           377           378 
      1   0.164982D+01  0.590752D+01 -0.797668D+00
      2  -0.177179D+01 -0.140091D+01 -0.478595D+00
      3  -0.100882D+01  0.381427D+01  0.236534D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.336950D+01 -0.422556D+01  0.312217D+01  0.142299D+01  0.134366D+00
      2  -0.201776D+01  0.209500D+01  0.296719D+01  0.195859D+01 -0.145712D+01
      3  -0.135175D+01  0.213056D+01 -0.608936D+01 -0.338158D+01  0.132275D+01
      4   0.373432D+00 -0.954313D+00  0.686093D+00 -0.647424D-01  0.515302D+00
      5  -0.806373D+01  0.805112D+01  0.272484D+01  0.769198D+01 -0.944766D+01
      6   0.396541D+01 -0.579196D+01 -0.431728D+00 -0.300654D+01  0.735066D+01
                 6             7             8             9            10 
      1  -0.376874D+01  0.220774D+01 -0.500477D+01  0.840539D+00 -0.131548D+02
      2  -0.477645D+01  0.153225D+01 -0.137187D+01 -0.183722D+01  0.159002D+02
      3   0.854520D+01 -0.373998D+01  0.637664D+01  0.996684D+00 -0.274540D+01
      4   0.427557D+00  0.202661D+01 -0.200833D+00  0.330790D+00  0.226580D+02
      5  -0.421883D+01  0.121864D+01 -0.106917D+01 -0.431954D+01 -0.279780D+02
      6   0.303554D+01 -0.380856D+00  0.228643D+01  0.411593D+01  0.130156D+02
                11            12            13            14            15 
      1   0.139699D+02  0.123303D+02 -0.143326D+02  0.820323D+01 -0.919179D+01
      2   0.137465D+01  0.364249D+02  0.189200D+02 -0.474914D+01  0.158960D+02
      3  -0.153445D+02 -0.487552D+02 -0.458740D+01 -0.345408D+01 -0.670418D+01
      4   0.162888D+01  0.761173D+01  0.851806D+01  0.173799D+02  0.880554D+01
      5   0.745758D+01  0.445902D+01 -0.146708D+02  0.101964D+01 -0.536658D+00
      6  -0.605268D+01  0.164311D+02  0.137256D+02  0.577170D+01  0.135706D+02
                16            17            18            19            20 
      1  -0.121737D+02  0.881429D+01 -0.385563D+01  0.206064D+02 -0.201439D+02
      2   0.353054D+02 -0.892430D+01  0.303193D+02 -0.164446D+02  0.102371D+02
      3  -0.231318D+02  0.110007D+00 -0.264637D+02 -0.416186D+01  0.990680D+01
      4   0.154325D+02  0.632634D+00  0.271471D+02 -0.276689D+02  0.682653D+01
      5  -0.147912D+02  0.177288D+02 -0.254245D+02  0.252310D+02 -0.220158D+02
      6   0.259244D+02 -0.123583D+02  0.226766D+02 -0.215958D+02  0.161845D+02
                21            22            23            24            25 
      1   0.181328D+02 -0.105975D+01  0.211544D+02  0.102838D+02  0.499430D+01
      2   0.367748D+01 -0.178222D+02 -0.135715D+02 -0.949248D+01 -0.211814D+02
      3  -0.218102D+02  0.188819D+02 -0.758286D+01 -0.791350D+00  0.161871D+02
      4  -0.186089D+02  0.139147D+02 -0.318905D+01  0.108136D+01 -0.177043D+02
      5   0.277846D+00  0.130589D+02  0.126404D+02  0.196592D+02  0.241429D+02
      6   0.132733D+00  0.763244D+01 -0.107767D+02 -0.592450D+01 -0.218068D+02
                26            27            28            29            30 
      1  -0.590881D+00 -0.257576D+02 -0.157535D+01  0.276701D+00 -0.330266D+01
      2   0.126340D+02 -0.480237D+02 -0.782184D+01 -0.130651D+01 -0.102281D+02
      3  -0.120431D+02  0.737813D+02  0.939719D+01  0.102981D+01  0.135308D+02
      4  -0.160165D+01 -0.180695D+02  0.396031D+00  0.255638D+01  0.631956D+00
      5  -0.176035D+02  0.932571D+01  0.644039D+01  0.351895D+01  0.123788D+02
      6   0.465269D+01 -0.455089D+02  0.101706D+01  0.171120D+01 -0.188313D+01
                31            32            33            34            35 
      1  -0.387024D+01 -0.126216D+02 -0.230189D+02 -0.469304D+01 -0.109903D+02
      2  -0.607306D+01 -0.119465D+02 -0.269416D+02 -0.108571D+02 -0.149291D+02
      3   0.994330D+01  0.245681D+02  0.499605D+02  0.155501D+02  0.259194D+02
      4   0.421153D+01  0.688700D+01  0.889756D+01  0.403041D+01  0.574169D+01
      5   0.510400D+01  0.595700D+01  0.908184D+01  0.110825D+02  0.889506D+01
      6   0.635013D+01  0.158144D+02  0.199019D+02  0.682623D+01  0.124753D+02
                36            37            38            39            40 
      1  -0.237841D+02  0.345667D+01  0.132545D+02 -0.867277D+01  0.348449D+02
      2  -0.324857D+02 -0.911036D+01 -0.219231D+02 -0.113633D+02 -0.194705D+02
      3   0.562697D+02  0.565369D+01  0.866860D+01  0.200360D+02 -0.153744D+02
      4   0.972556D+01  0.133367D+01  0.834751D+01  0.510953D+01 -0.361762D+02
      5   0.181386D+02 -0.239089D+01  0.138794D+02  0.238086D+01  0.196533D+02
      6   0.213934D+02  0.859196D+01 -0.128108D+01  0.590681D+01 -0.240981D+02
                41            42            43            44            45 
      1  -0.189155D+02  0.141459D+02 -0.193224D+02 -0.256229D+00 -0.457734D+02
      2   0.837428D+01  0.168401D+02  0.397306D-01  0.610965D+01 -0.165850D+02
      3   0.105412D+02 -0.309861D+02  0.192827D+02 -0.585342D+01  0.623584D+02
      4   0.118948D+02 -0.181726D+02 -0.344952D+02  0.209034D+02 -0.244974D+02
      5  -0.227422D+02 -0.565983D+01  0.917551D+01 -0.211763D+02  0.144728D+02
      6   0.204305D+02  0.468089D+01 -0.391189D+02  0.391491D+02 -0.508889D+02
                46            47            48            49            50 
      1   0.245708D+02 -0.130376D+01  0.933665D+01 -0.443883D+01  0.948992D+00
      2  -0.453585D+02  0.624262D+01 -0.372488D+02 -0.182335D+01 -0.238779D+01
      3   0.207878D+02 -0.493886D+01  0.279122D+02  0.626218D+01  0.143880D+01
      4  -0.254752D+02  0.920095D+01 -0.195646D+02  0.919672D+01 -0.330885D+01
      5   0.652213D+02 -0.112329D+02  0.547007D+02 -0.231716D+01  0.656362D+01
      6  -0.256519D+02  0.996097D+01 -0.246494D+02  0.663048D+01 -0.321861D+01
                51            52            53            54            55 
      1  -0.442093D+01  0.136945D+02 -0.284952D+00  0.694581D+01  0.172974D+02
      2  -0.662582D+01 -0.366399D+02  0.152682D+01 -0.350335D+02 -0.465495D+01
      3   0.110468D+02  0.229454D+02 -0.124186D+01  0.280877D+02 -0.126424D+02
      4   0.572348D+01 -0.124047D+02  0.402127D+01 -0.109415D+02  0.146422D+02
      5   0.214036D+01  0.480330D+02 -0.432541D+01  0.453395D+02 -0.195066D+01
      6   0.357671D+01 -0.142895D+02  0.504541D+01 -0.138202D+02  0.158628D+02
                56            57            58            59            60 
      1   0.375807D+01  0.156783D+02 -0.681221D+00 -0.211415D+02  0.218957D+02
      2  -0.484860D+01 -0.901297D+01  0.277207D+02  0.300127D+01  0.416574D+01
      3   0.109053D+01 -0.666535D+01 -0.270395D+02  0.181403D+02 -0.260615D+02
      4  -0.145353D+02  0.182852D+02  0.103662D+02 -0.480935D+01  0.296573D+02
      5   0.145905D+02  0.591823D+01 -0.254441D+02  0.227378D+02 -0.226281D+02
      6  -0.230270D+02  0.101233D+02  0.303385D+02 -0.385485D+02  0.431838D+02
                61            62            63            64            65 
      1  -0.139801D+02  0.300880D+02  0.115776D+02  0.121484D+02 -0.367491D+01
      2   0.293883D+02 -0.312375D+02  0.164984D+02  0.118409D+02 -0.172077D+02
      3  -0.154082D+02  0.114948D+01 -0.280760D+02 -0.239893D+02  0.208826D+02
      4   0.411888D+02  0.308703D+01  0.159305D+02 -0.459403D+02  0.421392D+02
      5  -0.220353D+02  0.159030D+02 -0.117667D+02  0.148308D+02 -0.129908D+02
      6   0.280399D+02  0.608564D-01  0.156733D+02 -0.198396D+02  0.216323D+02
                66            67            68            69            70 
      1  -0.111612D+00 -0.614936D+01 -0.160451D+01  0.138387D+01  0.232972D+01
      2   0.258294D+01 -0.207398D+02  0.315011D+02 -0.379766D+01 -0.388869D+01
      3  -0.247133D+01  0.268892D+02 -0.298966D+02  0.241378D+01  0.155897D+01
      4  -0.957791D+01  0.452726D+02 -0.478234D+02  0.559403D+01 -0.712851D+00
      5   0.709542D+01 -0.972615D+01  0.937305D+01 -0.435142D+01  0.609269D+01
      6  -0.898520D+01  0.178979D+02 -0.221581D+02  0.689872D+01 -0.491501D+01
                71            72            73            74            75 
      1  -0.211136D+01 -0.303657D+00 -0.260734D+02 -0.720985D+01 -0.248677D+02
      2   0.738492D+01  0.236935D+01 -0.230114D+02  0.112233D+02 -0.260592D+02
      3  -0.527356D+01 -0.206569D+01  0.490848D+02 -0.401345D+01  0.509268D+02
      4  -0.322702D+01 -0.538929D+01 -0.468491D+02  0.116075D+02 -0.354116D+02
      5  -0.416828D+01  0.188907D+01  0.213533D+02 -0.144568D+02  0.181432D+02
      6   0.306803D+01 -0.241567D+01 -0.393582D+02  0.428414D+01 -0.334077D+02
                76            77            78            79            80 
      1   0.392586D+02 -0.332417D+02  0.229155D+02 -0.392245D+00 -0.105561D+02
      2   0.444667D+02  0.489817D+02  0.853987D+02  0.121635D+02  0.213776D+02
      3  -0.837253D+02 -0.157400D+02 -0.108314D+03 -0.117713D+02 -0.108215D+02
      4   0.460826D+02 -0.268525D+02  0.436703D+02 -0.207934D+01 -0.861843D+01
      5  -0.435043D+02 -0.551376D+01 -0.420804D+02 -0.517548D+01 -0.891123D+01
      6   0.565914D+02 -0.270242D+01  0.669937D+02  0.405451D+01  0.153455D+02
                81            82            83            84            85 
      1  -0.630623D+01 -0.548457D+02  0.914684D+02 -0.981280D+01 -0.165914D+02
      2   0.389987D+02 -0.151967D+01 -0.881692D+02 -0.356285D+02 -0.142348D+02
      3  -0.326925D+02  0.563654D+02 -0.329924D+01  0.454413D+02  0.308262D+02
      4   0.506207D+00 -0.467529D+02  0.227368D+02 -0.219085D+02 -0.242344D+02
      5  -0.195676D+02  0.123945D+02  0.101306D+02  0.276637D+02  0.112744D+02
      6   0.118427D+02 -0.216748D+02 -0.120958D+02 -0.490820D+02 -0.103223D+02
                86            87            88            89            90 
      1  -0.834407D+01  0.436162D+01 -0.474810D+02  0.861830D+02 -0.305541D+02
      2   0.515877D+01 -0.481843D+02  0.818353D+00 -0.106112D+03 -0.241501D+02
      3   0.318531D+01  0.438226D+02  0.466626D+02  0.199294D+02  0.547042D+02
      4   0.292834D+02 -0.661279D+01 -0.164018D+02  0.144929D+02 -0.293305D+02
      5   0.488076D+01  0.192410D+02  0.289880D+02  0.523806D+01  0.237052D+02
      6  -0.211217D+02 -0.120283D+02 -0.464645D+02  0.309321D+02 -0.585914D+02
                91            92            93            94            95 
      1   0.662138D+02 -0.282650D+02  0.393874D+02 -0.778417D+01  0.344176D+01
      2   0.213849D+02  0.289681D+02  0.513781D+02 -0.495446D+02 -0.124014D+02
      3  -0.875987D+02 -0.703058D+00 -0.907655D+02  0.573287D+02  0.895962D+01
      4   0.617156D+02 -0.286069D+02  0.471473D+02 -0.338446D+02  0.223897D+01
      5  -0.370228D+02 -0.442205D+01 -0.304243D+02  0.280550D+02 -0.628983D+01
      6   0.555774D+02 -0.497249D+01  0.614655D+02 -0.473981D+02  0.143097D+01
                96            97            98            99           100 
      1  -0.750823D+01  0.300869D+02 -0.199971D+02  0.233934D+02 -0.375208D+02
      2  -0.636214D+02 -0.173761D+02  0.118362D+02 -0.740876D+01 -0.121528D+02
      3   0.711296D+02 -0.127108D+02  0.816098D+01 -0.159846D+02  0.496737D+02
      4  -0.424159D+02  0.971296D+01 -0.283805D+02  0.614125D+01 -0.335015D+02
      5   0.348112D+02 -0.735352D+00 -0.352881D+01 -0.435621D+01  0.348231D+01
      6  -0.494057D+02  0.439408D+01 -0.451730D+01  0.535848D+01 -0.267152D+02
               101           102           103           104           105 
      1  -0.166201D+02 -0.235643D+02 -0.118315D+03  0.161491D+03 -0.743074D+02
      2   0.325857D+01 -0.217003D+02  0.542551D+02 -0.125126D+03  0.310204D+02
      3   0.133615D+02  0.452646D+02  0.640602D+02 -0.363644D+02  0.432871D+02
      4   0.393880D+02 -0.242633D+02 -0.585693D+02 -0.187003D+02 -0.444006D+02
      5   0.178039D+02  0.146707D+02  0.528963D+00 -0.368652D+02 -0.227735D+01
      6   0.144260D+01 -0.257240D+02 -0.566478D+02  0.188896D+02 -0.311310D+02
               106           107           108           109           110 
      1  -0.883909D+02  0.708118D+02 -0.492752D+02 -0.123975D+02  0.581866D+02
      2   0.275048D+02 -0.513373D+02 -0.467451D+01  0.519666D+02 -0.684151D+02
      3   0.608861D+02 -0.194745D+02  0.539498D+02 -0.395690D+02  0.102285D+02
      4  -0.419036D+02  0.116897D+02 -0.327631D+02  0.610411D+02  0.346080D+02
      5   0.609019D+01 -0.777041D+01 -0.878131D+00  0.126232D+02  0.153821D+02
      6  -0.403884D+02  0.713542D+01 -0.368321D+02  0.393899D+02 -0.113956D+02
               111           112           113           114           115 
      1   0.311037D+02  0.148551D+03 -0.191172D+03  0.860139D+02  0.637352D+02
      2   0.135147D+01 -0.712022D+02  0.156568D+03 -0.227294D+02 -0.124574D+02
      3  -0.324552D+02 -0.773487D+02  0.346037D+02 -0.632845D+02 -0.512777D+02
      4   0.450990D+02  0.609169D+02 -0.161797D+02  0.380003D+02  0.449078D+02
      5   0.808286D+01 -0.714864D+01  0.303452D+02 -0.258073D+01  0.641173D+00
      6   0.231858D+02  0.554474D+02 -0.235335D+02  0.352790D+02  0.427775D+02
               116           117           118           119           120 
      1  -0.509298D+02  0.369113D+02  0.102206D+03 -0.155533D+03  0.482566D+02
      2   0.200547D+02 -0.194295D+01 -0.470496D+02  0.165918D+03 -0.702765D+00
      3   0.308751D+02 -0.349683D+02 -0.551561D+02 -0.103858D+02 -0.475538D+02
      4  -0.116548D+02  0.422747D+02  0.540188D+02 -0.525930D+02  0.167891D+02
      5   0.274106D+02 -0.102368D+01 -0.210712D+02 -0.622156D+01 -0.201346D+02
      6   0.146427D+01  0.365488D+02  0.266480D+02 -0.345399D+02  0.264692D+02
               121           122           123           124           125 
      1  -0.573702D+02  0.792233D+02 -0.189351D+02  0.506473D+02 -0.460333D+02
      2   0.512814D+02 -0.534769D+02  0.833761D+01 -0.365749D+02  0.405872D+02
      3   0.608879D+01 -0.257464D+02  0.105975D+02 -0.140724D+02  0.544607D+01
      4   0.107302D+02  0.313940D+02 -0.181189D+01  0.171896D+02 -0.414119D+02
      5   0.607194D+01 -0.120591D+02  0.660029D+01 -0.741238D+00 -0.535030D+01
      6  -0.118929D+02 -0.820464D+01 -0.151748D+02  0.244808D+02 -0.624707D+01
               126           127           128           129           130 
      1   0.106696D+02 -0.115629D+03  0.136652D+03 -0.395019D+02 -0.164897D+02
      2   0.370235D+01  0.732015D+02 -0.549033D+02  0.291780D+02  0.134087D+02
      3  -0.143719D+02  0.424273D+02 -0.817486D+02  0.103239D+02  0.308099D+01
      4   0.101666D+02 -0.774566D+01 -0.142238D+03 -0.596960D+01  0.246407D+01
      5  -0.190386D+02 -0.114585D+02 -0.981846D+02 -0.195361D+01 -0.115538D+02
      6   0.539771D+02 -0.180092D+02  0.275136D+01 -0.728495D+01  0.210591D+02
               131           132           133           134           135 
      1  -0.579864D+02  0.128360D+02 -0.310358D+02  0.206032D+02 -0.131166D+02
      2   0.655827D+02 -0.208727D+02  0.260101D+02  0.758586D+01  0.472801D+01
      3  -0.759632D+01  0.803677D+01  0.502569D+01 -0.281891D+02  0.838863D+01
      4  -0.493553D+02  0.134732D+02  0.670110D+01 -0.567953D+02  0.806480D+00
      5  -0.364677D+02  0.606019D+01 -0.132362D+02 -0.409107D+02 -0.811776D+01
      6  -0.950291D+01 -0.289240D+01  0.480809D-01  0.456305D+00  0.695521D+00
               136           137           138           139           140 
      1   0.138926D+03 -0.143492D+03  0.402975D+02 -0.379851D+02  0.625329D+02
      2  -0.784020D+02  0.581903D+02 -0.167209D+02  0.297143D+02 -0.902268D+02
      3  -0.605238D+02  0.853021D+02 -0.235766D+02  0.827071D+01  0.276939D+02
      4  -0.105840D+02  0.133446D+03 -0.685174D+01  0.582715D+02  0.752506D+02
      5   0.899332D+01  0.101879D+03 -0.629814D+01  0.178687D+02  0.519653D+02
      6   0.879128D+01  0.216833D+01  0.852034D+01  0.219405D+02 -0.148663D+01
               141           142           143           144           145 
      1  -0.217175D+01  0.482693D+01 -0.269275D+02  0.216012D+02  0.359820D+02
      2   0.403297D+01 -0.592976D+01 -0.460219D+01 -0.245516D+02  0.387195D+01
      3  -0.186122D+01  0.110283D+01  0.315297D+02  0.295044D+01 -0.398539D+02
      4   0.227986D+02  0.830540D+01  0.604208D+02  0.138130D+02  0.580892D+02
      5   0.820739D+01  0.326479D+02  0.527988D+02  0.131289D+02 -0.132941D+02
      6   0.722209D+01  0.180874D+02  0.114907D+01  0.688566D-01  0.174325D+02
               146           147           148           149           150 
      1  -0.282066D+02  0.466185D+01 -0.866041D+01  0.248849D+02 -0.331922D+02
      2   0.143447D+02 -0.251747D+01 -0.126956D+02  0.416098D+02  0.274006D+02
      3   0.138619D+02 -0.214438D+01  0.213560D+02 -0.664947D+02  0.579159D+01
      4   0.545919D+02  0.246477D+02 -0.657912D+02 -0.125272D+03 -0.424601D+02
      5   0.162941D+02  0.141713D+02 -0.360242D+02 -0.861459D+02 -0.284574D+02
      6   0.104819D+02  0.215642D+02 -0.477056D+02 -0.638370D+01 -0.287549D+02
               151           152           153           154           155 
      1  -0.236988D+02 -0.150959D+02  0.531754D+01 -0.501554D+02  0.152954D+02
      2  -0.131850D+02  0.238829D+02 -0.224255D+02 -0.900270D+01  0.475810D+02
      3   0.368838D+02 -0.878697D+01  0.171080D+02  0.591581D+02 -0.628764D+02
      4  -0.409755D+02 -0.271126D+02  0.494052D+01 -0.821078D+02 -0.436875D+02
      5   0.243224D+02 -0.216401D+02  0.256604D+02 -0.202677D+02 -0.556588D+02
      6   0.786437D+01  0.349295D+01  0.883858D+01 -0.544050D+02 -0.134491D+01
               156           157           158           159           160 
      1  -0.440819D+02  0.575475D+02 -0.113043D+02  0.373106D+02 -0.257580D+01
      2   0.195894D+02 -0.221326D+02 -0.252737D+00 -0.322653D+02 -0.229687D+02
      3   0.244925D+02 -0.354149D+02  0.115571D+02 -0.504537D+01  0.255445D+02
      4  -0.620108D+02  0.722511D+02  0.780729D+02  0.141209D+02 -0.309963D+02
      5  -0.274948D+02  0.184005D+02  0.267381D+02  0.177607D+02  0.684704D+01
      6  -0.402051D+02  0.173657D+02 -0.133691D+02  0.118285D+02 -0.155695D+02
               161           162           163           164           165 
      1  -0.136064D+02 -0.305139D+02 -0.942369D+02 -0.852294D+02 -0.258191D+01
      2  -0.135885D+02 -0.639847D+01  0.634589D+02  0.985418D+02  0.426115D+01
      3   0.271949D+02  0.369123D+02  0.307780D+02 -0.133124D+02 -0.167924D+01
      4  -0.280985D+02 -0.174732D+01  0.621370D+02 -0.131076D+02 -0.145466D+02
      5   0.151274D+02  0.147981D+02 -0.557480D+02 -0.629919D+02 -0.130306D+00
      6   0.241381D+02  0.456576D+01 -0.894808D+01  0.280665D+02  0.168153D+01
               166           167           168           169           170 
      1   0.806436D+02  0.490698D+02  0.103751D+01  0.251578D+02  0.117361D+02
      2  -0.607349D+02 -0.986215D+02  0.420890D+01 -0.201344D+02 -0.216139D+02
      3  -0.199087D+02  0.495517D+02 -0.524641D+01 -0.502336D+01  0.987785D+01
      4  -0.177843D+02  0.903538D+02 -0.972438D+01 -0.514929D+00  0.297949D+02
      5   0.351479D+02  0.798981D+02 -0.589219D+01  0.584739D+01  0.293326D+02
      6  -0.183855D+02 -0.114750D+02 -0.215640D+01 -0.520669D+00 -0.283798D+01
               171           172           173           174           175 
      1  -0.698382D+01  0.137063D+03  0.271872D+02 -0.531566D+01 -0.514847D+02
      2  -0.292415D+01 -0.863558D+02 -0.355640D+02  0.100400D+02  0.442976D+02
      3   0.990797D+01 -0.507077D+02  0.837677D+01 -0.472433D+01  0.718710D+01
      4   0.238476D+01 -0.833749D+02 -0.114683D+02 -0.551478D+01  0.616699D+00
      5   0.252418D+01  0.492828D+02  0.481568D+02 -0.934840D+01 -0.566148D+02
      6  -0.206689D+01 -0.162311D+02 -0.844424D+01 -0.245669D+01  0.245819D+01
               176           177           178           179           180 
      1  -0.105090D+03 -0.576541D+01  0.175221D+01 -0.238064D+02 -0.126180D+01
      2   0.168611D+03  0.117972D+02  0.843393D+01  0.426137D+02  0.193176D+01
      3  -0.635211D+02 -0.603182D+01 -0.101861D+02 -0.188073D+02 -0.669958D+00
      4  -0.103455D+03 -0.654590D+01 -0.836279D+01 -0.236223D+02 -0.196933D+02
      5  -0.112578D+03  0.130195D+01  0.240246D+01 -0.428689D+02 -0.103556D+02
      6   0.454492D+02  0.218225D+01 -0.144363D+02  0.271541D+02 -0.386086D+00
               181           182           183           184           185 
      1  -0.792897D+02  0.607669D+01  0.432695D+01 -0.154795D+03  0.347073D+02
      2   0.434576D+02 -0.139240D+02 -0.671640D+01  0.109746D+03 -0.239298D+02
      3   0.358321D+02  0.784734D+01  0.238945D+01  0.450494D+02 -0.107774D+02
      4   0.559483D+02  0.222573D+02  0.133297D+02  0.507785D+02 -0.307372D+02
      5  -0.301391D+02 -0.115614D+02  0.120802D+02 -0.369483D+02 -0.213976D+02
      6   0.170981D+02 -0.511941D+01 -0.231758D+01  0.269828D+02 -0.116952D+02
               186           187           188           189           190 
      1  -0.147559D+02 -0.772684D+02  0.267015D+02  0.184832D+02  0.743466D+00
      2   0.592887D+01  0.541185D+02 -0.258901D+02 -0.154917D+02 -0.423837D+01
      3   0.882700D+01  0.231499D+02 -0.811458D+00 -0.299141D+01  0.349490D+01
      4   0.330100D+02  0.159654D+02  0.129536D+02 -0.185344D+02 -0.338992D+01
      5  -0.160524D+02  0.311558D+02 -0.529805D+02 -0.157644D+02 -0.125622D+02
      6   0.130866D+02 -0.446682D+01  0.180553D+02 -0.214214D+01  0.109739D+01
               191           192           193           194           195 
      1   0.487275D+02 -0.243016D+02  0.170828D+03 -0.106293D+03 -0.161040D+01
      2  -0.406301D+02  0.125619D+02 -0.106752D+03  0.748206D+02  0.110402D+02
      3  -0.809741D+01  0.117397D+02 -0.640754D+02  0.314728D+02 -0.942979D+01
      4   0.169665D+02  0.485170D+01 -0.824223D+02  0.593979D+02 -0.281539D+02
      5  -0.419925D+01  0.142981D+02 -0.154449D+02  0.447049D+02  0.195924D+01
      6  -0.143384D+01  0.114888D+01 -0.183100D+02  0.732992D+01 -0.387736D+01
               196           197           198           199           200 
      1   0.127693D+02 -0.334203D+02  0.236074D+02  0.403776D+02  0.509484D+02
      2  -0.151410D+02  0.205380D+02 -0.246275D+02 -0.417945D+02 -0.506059D+02
      3   0.237168D+01  0.128823D+02  0.102015D+01  0.141696D+01 -0.342463D+00
      4  -0.468433D+02  0.921576D+01 -0.110395D+02 -0.322589D+02 -0.150855D+02
      5   0.515954D+02  0.239561D+02  0.244819D+02  0.257727D+02  0.345157D+02
      6  -0.170384D+02  0.214707D+01 -0.128601D+02  0.755897D+01 -0.181871D+02
               201           202           203           204           205 
      1  -0.432743D+01  0.883243D-01  0.283802D+02  0.904080D+01  0.306962D+01
      2  -0.114114D+01  0.232843D+02 -0.397121D+02 -0.177760D+02  0.984008D+01
      3   0.546857D+01 -0.233727D+02  0.113319D+02  0.873524D+01 -0.129097D+02
      4   0.118380D+02 -0.134808D+03 -0.301093D+02  0.307966D+02 -0.546313D+02
      5   0.386770D+01  0.481103D+02  0.109692D+02 -0.103795D+02  0.221956D+02
      6  -0.607858D+01  0.259888D+02 -0.822286D+01 -0.445032D+01  0.103322D+02
               206           207           208           209           210 
      1   0.746587D+01  0.341962D+01  0.906041D+01  0.123484D+03  0.179097D+02
      2  -0.667853D+01 -0.125469D+02 -0.125372D+02 -0.155422D+03 -0.115903D+02
      3  -0.787331D+00  0.912724D+01  0.347676D+01  0.319380D+02 -0.631941D+01
      4  -0.609834D+01  0.898650D+01 -0.520523D+02  0.360312D+02  0.217630D+02
      5   0.679847D+00  0.466768D+00  0.481642D+02  0.576073D+02  0.118748D+02
      6  -0.450354D+00 -0.617556D+01  0.484942D+01 -0.392282D+02 -0.287773D+02
               211           212           213           214           215 
      1   0.139790D+02  0.811403D+02  0.518334D+01 -0.632738D+01  0.239137D+02
      2  -0.279365D+02 -0.123164D+03 -0.858638D+01  0.203028D+02 -0.452178D+02
      3   0.139574D+02  0.420232D+02  0.340303D+01 -0.139755D+02  0.213040D+02
      4   0.420737D+01  0.559191D+02  0.230722D+02 -0.357205D+01  0.265961D+02
      5   0.274485D+02  0.822870D+02  0.242165D+01  0.367117D+02  0.129195D+02
      6   0.144046D+02 -0.456797D+02 -0.552932D+01 -0.383378D+02  0.554949D+01
               216           217           218           219           220 
      1  -0.435795D+01  0.179460D+02 -0.911918D+02 -0.147463D+02 -0.223547D+02
      2  -0.240308D+01 -0.302724D+02  0.121176D+03  0.152025D+02  0.253797D+02
      3   0.676103D+01  0.123264D+02 -0.299839D+02 -0.456164D+00 -0.302495D+01
      4  -0.268136D+02  0.121450D+03 -0.477589D+02 -0.436255D+02 -0.102549D+02
      5  -0.101194D+02 -0.575010D+02 -0.635079D+02 -0.625201D+01  0.140912D+02
      6   0.103344D+02 -0.231489D+02  0.345594D+02  0.267451D+02  0.304874D+01
               221           222           223           224           225 
      1  -0.215492D+02  0.161987D+02 -0.121676D+02  0.769034D+01 -0.265362D+02
      2   0.351147D+02 -0.252869D+02  0.569061D+01 -0.348533D+02  0.150481D+02
      3  -0.135656D+02  0.908810D+01  0.647694D+01  0.271630D+02  0.114881D+02
      4  -0.314936D+02  0.553470D+01 -0.102924D+02 -0.128883D+01  0.223908D+01
      5  -0.759592D+01 -0.593440D+01  0.562269D+01 -0.165556D+02 -0.123285D+02
      6  -0.210985D+02  0.452587D+01  0.205388D+02  0.471593D+02  0.172241D+02
               226           227           228           229           230 
      1  -0.686771D+02  0.927411D+01  0.124865D+02  0.117088D+02 -0.429142D+02
      2   0.650062D+02 -0.993618D+01 -0.140015D+02 -0.346955D+02  0.606638D+02
      3   0.367084D+01  0.662070D+00  0.151495D+01  0.229867D+02 -0.177496D+02
      4  -0.238299D+02  0.361687D+02  0.244248D+02  0.139711D+03  0.288064D+02
      5   0.172852D+02  0.105860D+02 -0.723363D+01 -0.597101D+02 -0.196522D+02
      6   0.152479D+02 -0.474769D+01 -0.499414D+01 -0.298391D+02  0.117167D+02
               231           232           233           234           235 
      1  -0.568589D+01  0.102009D+02 -0.465399D+01 -0.192312D+02  0.516645D+02
      2   0.246697D+02 -0.172779D+02  0.752692D+01  0.180977D+02 -0.440885D+02
      3  -0.189838D+02  0.707694D+01 -0.287293D+01  0.113347D+01 -0.757596D+01
      4  -0.333272D+02  0.492702D+02  0.917154D+01 -0.135670D+02 -0.347472D+02
      5   0.109908D+02 -0.244154D+02 -0.486842D+01  0.881177D+01 -0.384452D+01
      6   0.707507D+01 -0.123790D+02  0.170940D+02  0.824408D+01 -0.954338D+00
               236           237           238           239           240 
      1  -0.108527D+01 -0.152876D+02 -0.466307D+01  0.191142D+01  0.158912D+02
      2  -0.146739D+02  0.775050D+01  0.849539D+01  0.544172D+01 -0.211864D+02
      3   0.157591D+02  0.753709D+01 -0.383232D+01 -0.735313D+01  0.529517D+01
      4  -0.664431D+02 -0.132734D+02  0.343552D+02  0.197983D+02 -0.981086D+01
      5  -0.944921D+01 -0.321338D+01  0.367555D+01 -0.922590D+01  0.535121D+00
      6   0.107797D+02  0.158844D+00 -0.836727D+01 -0.250844D+02  0.635401D+01
               241           242           243           244           245 
      1  -0.949959D+01  0.193699D+02 -0.942965D+01 -0.569397D+01 -0.295985D+02
      2   0.675473D+01 -0.253582D+02  0.854841D+01 -0.281964D+01  0.398740D+02
      3   0.274485D+01  0.598835D+01  0.881235D+00  0.851361D+01 -0.102755D+02
      4   0.274369D+02  0.118276D+02  0.151096D+02  0.343692D+02  0.431363D+02
      5   0.105540D+02  0.121253D+02  0.107327D+02 -0.154877D+02  0.627412D+01
      6   0.864170D+01  0.214958D+02  0.132763D+02 -0.897400D+00  0.573040D+00
               246           247           248           249           250 
      1  -0.554175D+01  0.532109D+02 -0.179027D+02 -0.224616D+02  0.407655D+02
      2   0.966822D+01 -0.571465D+02  0.208910D+01  0.179622D+02 -0.394066D+02
      3  -0.412647D+01  0.393556D+01  0.158136D+02  0.449944D+01 -0.135891D+01
      4   0.472248D+01 -0.187040D+02 -0.487628D+02 -0.267919D+02 -0.203515D+02
      5   0.221068D+02 -0.446395D+02 -0.145430D+02  0.791583D+01  0.150092D+02
      6   0.138619D+02 -0.238487D+02 -0.321483D+01  0.509599D+01  0.179677D+02
               251           252           253           254           255 
      1   0.308436D+01 -0.790673D+01  0.729517D+01  0.216969D+02 -0.400680D+01
      2  -0.147335D+02  0.230879D+01 -0.143891D+02  0.423331D+01  0.536859D+01
      3   0.116491D+02  0.559793D+01  0.709395D+01 -0.259303D+02 -0.136180D+01
      4  -0.436496D+02  0.127293D+02  0.792899D+02  0.236902D+02 -0.875401D+01
      5   0.462266D+01 -0.782737D+01 -0.172564D+02  0.372657D+01 -0.330349D+01
      6   0.185218D+02 -0.105796D+02 -0.437312D+01  0.747751D+01  0.479590D+01
               256           257           258           259           260 
      1  -0.298858D+02  0.808565D+01  0.959075D+01 -0.677420D+01 -0.337456D+01
      2   0.362582D+02  0.201159D+01  0.171049D+01  0.142972D+02  0.549401D+01
      3  -0.637243D+01 -0.100972D+02 -0.113012D+02 -0.752299D+01 -0.211946D+01
      4  -0.470621D+01  0.481057D+02  0.165923D+02 -0.211829D+02  0.119616D+02
      5   0.688124D+01  0.145809D+02  0.104060D+02  0.156324D+02  0.982256D+01
      6   0.141124D+02 -0.241738D+01 -0.332939D+01  0.188198D+02  0.268542D+01
               261           262           263           264           265 
      1   0.497511D+01 -0.364799D+02 -0.134466D+02  0.116421D+02 -0.120557D+02
      2  -0.725010D+01  0.466370D+02 -0.396508D+01 -0.227973D+02  0.855511D+01
      3   0.227499D+01 -0.101571D+02  0.174117D+02  0.111552D+02  0.350058D+01
      4   0.160756D+02 -0.800828D+02 -0.275063D+02  0.602612D+01  0.125531D+02
      5  -0.203886D+01  0.399620D+02 -0.201568D+02 -0.145337D+02  0.161550D+02
      6  -0.128492D+02  0.483585D+01  0.251952D+01 -0.324962D+01 -0.191748D+01
               266           267           268           269           270 
      1   0.919689D+01  0.715150D+01 -0.628232D+00  0.874975D+01 -0.994731D+01
      2  -0.168800D+02 -0.768564D+01 -0.135189D+01 -0.456871D+01 -0.969445D+01
      3   0.768311D+01  0.534136D+00  0.198013D+01 -0.418103D+01  0.196418D+02
      4  -0.101523D+02 -0.574387D+00  0.156692D+02  0.854769D+01 -0.911074D+01
      5   0.381900D+01 -0.913284D+01  0.199691D+01 -0.702786D+01  0.131087D+01
      6  -0.704937D+01  0.169856D+00 -0.249193D+01  0.529160D+00 -0.888264D+01
               271           272           273           274           275 
      1  -0.941263D+01  0.214170D+02 -0.162244D+01  0.154482D+02 -0.360615D+02
      2   0.301489D+02 -0.504896D+02 -0.351207D+00 -0.364025D+02  0.772997D+02
      3  -0.207362D+02  0.290726D+02  0.197365D+01  0.209543D+02 -0.412383D+02
      4  -0.320749D+02  0.428354D+02  0.163347D+01  0.310157D+02 -0.478305D+02
      5  -0.246502D+01  0.381647D+01  0.323207D+01  0.565447D+01 -0.780621D+01
      6  -0.357634D+01  0.571261D+01 -0.687570D+01 -0.367985D+01  0.292134D+01
               276           277           278           279           280 
      1  -0.426063D+01  0.210751D+01 -0.877485D+01 -0.208670D+01 -0.173842D+01
      2   0.653428D+01 -0.627152D+01  0.142264D+02  0.205993D+01  0.517866D+01
      3  -0.227365D+01  0.416401D+01 -0.545157D+01  0.267684D-01 -0.344024D+01
      4  -0.537110D+01 -0.398163D+01 -0.429415D+00 -0.614195D+01  0.741868D+01
      5  -0.254899D+01  0.266795D+01 -0.364768D+01 -0.105328D+00  0.128943D+01
      6   0.503884D+01 -0.474024D+01  0.630570D+01  0.160273D+01  0.854932D+01
               281           282           283           284           285 
      1  -0.796470D+01 -0.381170D+01 -0.659319D+01 -0.582575D+02 -0.291850D+02
      2   0.109636D+02  0.535686D+01  0.947330D+01  0.917056D+02  0.391551D+02
      3  -0.299891D+01 -0.154516D+01 -0.288011D+01 -0.334480D+02 -0.997012D+01
      4   0.135097D+02  0.971051D+01  0.758240D+01  0.243896D+02  0.993314D+01
      5   0.387957D+01  0.271202D+01  0.174010D+01 -0.105887D+01 -0.210026D+00
      6   0.936973D+01  0.104796D+02  0.531793D+01  0.484186D+02  0.322971D+02
               286           287           288           289           290 
      1  -0.544770D+01 -0.311694D+02 -0.207980D+02  0.102958D+03  0.248529D+02
      2   0.117033D+02  0.448260D+02  0.257620D+02 -0.643721D+02 -0.134623D+02
      3  -0.625563D+01 -0.136567D+02 -0.496394D+01 -0.385862D+02 -0.113906D+02
      4   0.104348D+02  0.184642D+02  0.119268D+02  0.620650D+02  0.238022D+02
      5   0.185471D+01  0.181607D+01  0.329215D+01  0.556966D+02  0.139342D+02
      6   0.462926D+01  0.343362D+02  0.219209D+02  0.167274D+02  0.673468D+01
               291           292           293           294           295 
      1   0.374356D+02  0.633971D+01  0.141034D+02  0.455285D+01  0.369588D+02
      2  -0.279733D+02 -0.182479D+01 -0.515531D+01 -0.317698D+01 -0.215875D+02
      3  -0.946222D+01 -0.451492D+01 -0.894810D+01 -0.137587D+01 -0.153713D+02
      4   0.242946D+02  0.235443D+02  0.125118D+02  0.112992D+02  0.273707D+02
      5   0.321059D+02  0.118771D+02  0.608516D+01  0.806256D+01  0.230442D+02
      6   0.975270D+01  0.918776D+01  0.407751D+01  0.647586D+01  0.718794D+01
               296           297           298           299           300 
      1   0.790509D+01  0.150014D+02  0.308170D+00  0.523947D+01 -0.105616D+01
      2  -0.462772D+01 -0.107309D+02  0.475461D+01  0.103681D+01  0.153379D+01
      3  -0.327737D+01 -0.427047D+01 -0.506278D+01 -0.627628D+01 -0.477631D+00
      4   0.949880D+01  0.118209D+02  0.189588D+02  0.241384D+02  0.145262D+02
      5   0.917968D+01  0.142744D+02  0.899620D+01  0.124244D+02  0.102309D+02
      6   0.511951D+01  0.486383D+01  0.101336D+02  0.130851D+02  0.860656D+01
               301           302           303           304           305 
      1  -0.605459D+01 -0.341668D+02 -0.165886D+02 -0.562275D+01 -0.919470D+01
      2   0.174437D+02  0.529228D+02  0.204159D+02  0.832189D+01  0.216826D+02
      3  -0.113891D+02 -0.187559D+02 -0.382731D+01 -0.269915D+01 -0.124879D+02
      4   0.329011D+02  0.661906D+02  0.330146D+02  0.217769D+02  0.401163D+02
      5   0.118615D+02  0.255343D+02  0.166539D+02  0.115068D+02  0.136121D+02
      6   0.192044D+02  0.501254D+02  0.306178D+02  0.135008D+02  0.261534D+02
               306           307           308           309           310 
      1  -0.836738D+01  0.748005D+02 -0.423969D+02 -0.362757D+01 -0.418794D+02
      2   0.896761D+01 -0.277969D+02  0.133359D+02  0.199773D+01  0.731324D+01
      3  -0.600231D+00 -0.470035D+02  0.290610D+02  0.162984D+01  0.345661D+02
      4   0.200138D+02 -0.737885D+02  0.503812D+02  0.181079D+01  0.644366D+02
      5   0.125363D+02 -0.100140D+02  0.235745D+01  0.814115D+01  0.101417D+02
      6   0.205175D+02 -0.113169D+01  0.166409D+01 -0.368515D+01 -0.153991D+01
               311           312           313           314           315 
      1   0.295787D+02  0.450298D+01 -0.502169D+01  0.223740D+01  0.122502D+01
      2   0.127691D+01 -0.201138D+01  0.446099D+00  0.166404D+01 -0.361540D+00
      3  -0.308556D+02 -0.249160D+01  0.457559D+01 -0.390144D+01 -0.863475D+00
      4  -0.587662D+02 -0.592802D+01  0.110434D+02 -0.121436D+02 -0.255179D+01
      5  -0.126273D+02 -0.712606D+01  0.511106D+01  0.105234D+01 -0.898859D+00
      6   0.258182D+01  0.435324D+01 -0.201567D+01  0.536990D+00  0.212818D+01
               316           317           318           319           320 
      1   0.158490D+03  0.855101D+01  0.305748D+02  0.190175D+02  0.106792D+02
      2  -0.978494D+02 -0.557147D+01 -0.215816D+02 -0.130784D+02 -0.672547D+01
      3  -0.606403D+02 -0.297955D+01 -0.899313D+01 -0.593909D+01 -0.395368D+01
      4   0.100048D+01  0.725246D+01 -0.104695D+01  0.181149D+02  0.533585D+01
      5   0.419471D+02  0.191422D+01  0.197338D+02  0.105838D+02  0.817093D+01
      6  -0.631060D+01  0.842850D+00 -0.223268D+01  0.173195D+01 -0.534578D+00
               321           322           323           324           325 
      1   0.683984D+01  0.432754D+02  0.454078D+01  0.110518D+02  0.174776D+02
      2  -0.557884D+01 -0.289279D+02 -0.202675D+01 -0.812347D+01  0.129206D+02
      3  -0.126100D+01 -0.143475D+02 -0.251403D+01 -0.292835D+01 -0.303983D+02
      4   0.392451D+01  0.387293D+01  0.245109D+01  0.323004D+00 -0.679730D+02
      5   0.463891D+01  0.144624D+02 -0.291284D+01  0.695554D+01 -0.150215D+02
      6   0.122403D+01 -0.908222D+00  0.206748D+01  0.836574D+00  0.110958D+02
               326           327           328           329           330 
      1  -0.527041D+01 -0.272844D+01  0.392709D+01 -0.829466D+01 -0.221954D+01
      2  -0.226773D+02 -0.293658D+01 -0.267736D+02  0.399425D+02  0.760269D+01
      3   0.279477D+02  0.566502D+01  0.228465D+02 -0.316478D+02 -0.538315D+01
      4   0.607142D+02  0.160254D+02  0.508209D+02 -0.645239D+02 -0.168342D+02
      5   0.145666D+02  0.971477D+01  0.141546D+02 -0.130489D+02 -0.812016D+01
      6  -0.123920D+02 -0.824306D+01 -0.147784D+02  0.159047D+02  0.109544D+02
               331           332           333           334           335 
      1   0.489268D+00 -0.429900D+00  0.114012D-01 -0.745723D+01 -0.159861D+02
      2  -0.983132D+01  0.622823D+01  0.289100D+01  0.110946D+02  0.213293D+02
      3   0.934206D+01 -0.579833D+01 -0.290240D+01 -0.363733D+01 -0.534323D+01
      4   0.159914D+02 -0.164717D+02 -0.581423D+01  0.428781D+01  0.158941D+02
      5   0.421410D+01 -0.644905D+01 -0.385388D+01 -0.105762D+01  0.235333D+01
      6  -0.161585D+01  0.828130D+01  0.367909D+01  0.423933D+01  0.668741D+01
               336           337           338           339           340 
      1  -0.388676D+01 -0.361778D+01 -0.844226D+02 -0.241904D+02 -0.308853D+00
      2   0.466334D+01  0.368929D+01  0.125555D+03  0.310095D+02  0.258795D+01
      3  -0.776582D+00 -0.715058D-01 -0.411321D+02 -0.681907D+01 -0.227910D+01
      4   0.319495D+01  0.658004D+01 -0.126045D+02 -0.362408D+01  0.102347D+00
      5   0.250535D+01  0.954406D+00 -0.592898D+01 -0.312097D+01  0.321906D+01
      6   0.331007D+01  0.280389D+01  0.477156D+02  0.221442D+02 -0.298123D+01
               341           342           343           344           345 
      1  -0.290702D+02 -0.901734D+01 -0.324455D+01 -0.621174D+01 -0.106089D+01
      2   0.432161D+02  0.115007D+02  0.118360D+02  0.177052D+02  0.327314D+01
      3  -0.141458D+02 -0.248341D+01 -0.859142D+01 -0.114935D+02 -0.221226D+01
      4  -0.718367D+01 -0.135930D+01  0.140212D+02  0.251470D+02  0.583183D+01
      5  -0.956769D+00 -0.142172D+00  0.214379D+01  0.471706D+01  0.379961D+01
      6   0.159012D+02  0.100340D+02  0.449250D+01  0.385884D+01  0.270739D+01
               346           347           348           349           350 
      1  -0.141026D+02 -0.565827D+02 -0.153232D+02 -0.334956D+01 -0.204085D+02
      2   0.273492D+02  0.971946D+02  0.228265D+02  0.586422D+01  0.314555D+02
      3  -0.132465D+02 -0.406120D+02 -0.750328D+01 -0.251466D+01 -0.110470D+02
      4   0.222752D+02  0.516211D+02  0.143460D+02  0.677883D+01  0.156266D+02
      5   0.606956D+01  0.136544D+02  0.627583D+01  0.188083D+01  0.471798D+01
      6   0.946974D+01  0.284978D+02  0.163206D+02  0.403713D+01  0.138958D+02
               351           352           353           354           355 
      1  -0.817645D+01  0.502992D+02  0.191543D+02 -0.100796D+01  0.995870D+01
      2   0.106015D+02 -0.134729D+02  0.663014D+00  0.829905D+00  0.508289D+01
      3  -0.242504D+01 -0.368263D+02 -0.198173D+02  0.178056D+00 -0.150416D+02
      4   0.516751D+01  0.719294D+02  0.411074D+02 -0.188882D+01  0.311864D+02
      5   0.260746D+01 -0.321395D+01 -0.977462D+00  0.727092D+01  0.274511D+01
      6   0.791489D+01 -0.594258D+01 -0.353617D+01  0.488421D+01  0.108521D+01
               356           357           358           359           360 
      1   0.561949D+01  0.747628D+00 -0.377233D+01 -0.814401D+00  0.215446D+01
      2   0.690684D+01 -0.399001D+00  0.479062D+01  0.224660D+01 -0.417601D+00
      3  -0.125263D+02 -0.348626D+00 -0.101829D+01 -0.143220D+01 -0.173686D+01
      4   0.252688D+02  0.210768D+01  0.154879D+01  0.429258D+01  0.272499D+01
      5   0.128332D+01  0.210638D+01  0.222609D+01  0.192092D+01  0.190338D+01
      6  -0.111061D+01  0.188708D+01  0.404274D+00  0.135044D+01  0.119758D+01
               361           362           363           364           365 
      1   0.129043D+03 -0.162316D+02 -0.269140D+02 -0.958358D+01  0.220272D+02
      2  -0.786063D+02  0.946236D+01  0.207124D+02  0.619737D+01 -0.146505D+02
      3  -0.504365D+02  0.676919D+01  0.620164D+01  0.338621D+01 -0.737672D+01
      4  -0.135940D+02  0.314317D+02  0.552353D+01  0.664434D+02 -0.208204D+02
      5  -0.507589D+02  0.863503D+01  0.413793D+02  0.568232D+01 -0.259495D+02
      6   0.192846D+01 -0.809192D+01 -0.125694D+01 -0.224459D+02  0.744213D+01
               366           367           368           369           370 
      1  -0.149189D+01  0.131286D+01 -0.102426D+01  0.609582D+01 -0.295412D+01
      2  -0.507812D+01  0.226688D+02 -0.413562D+01 -0.465287D+02  0.159704D+01
      3   0.657001D+01 -0.239817D+02  0.515989D+01  0.404329D+02  0.135709D+01
      4  -0.264370D+02  0.940664D+01 -0.130105D+02 -0.261457D+01 -0.184485D+01
      5  -0.124408D+02  0.623949D+02 -0.131391D+02 -0.519439D+02  0.399351D+01
      6   0.230844D+02 -0.135046D+01  0.155137D+02 -0.331922D+01  0.618162D+00
               371           372           373           374           375 
      1  -0.841527D+00  0.110606D+01 -0.364678D+01 -0.611660D+01 -0.105647D+01
      2  -0.172994D+01 -0.112202D+01  0.213489D+01 -0.296095D+01 -0.342912D+01
      3   0.257147D+01  0.159556D-01  0.151190D+01  0.907755D+01  0.448559D+01
      4  -0.135369D+01  0.114128D+01 -0.633471D+00 -0.436285D+01 -0.348116D+00
      5   0.341359D+01 -0.141380D+01  0.306466D+01  0.373611D+01 -0.308138D+01
      6  -0.866263D+00 -0.111000D+00 -0.558879D-01  0.559204D+00  0.158233D+01
               376           377           378 
      1  -0.147398D+01 -0.595063D+00 -0.393211D+01
      2   0.138153D+01 -0.211658D+01 -0.170757D+01
      3   0.924478D-01  0.271164D+01  0.563968D+01
      4   0.124271D+01 -0.508525D+00 -0.130572D+01
      5   0.186788D+01  0.508243D+00  0.512222D-01
      6  -0.834283D+00  0.191020D+01  0.162839D+01
 Leave Link  716 at Mon Jul 19 23:36:48 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.451325D+03 -0.184933D+02  0.465362D+02
      2  -0.184933D+02  0.416204D+03  0.438390D+02
      3   0.465362D+02  0.438390D+02  0.245987D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.200357D+03 -0.371360D+02  0.148103D+03
      2  -0.116661D+03 -0.762051D+02 -0.548371D+02
      3   0.137462D+03  0.658829D+03 -0.234174D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.682728D+03  0.466493D+02 -0.320503D+03
      2   0.235863D+03  0.134393D+02 -0.218548D+02
      3   0.446865D+03 -0.600886D+02  0.342358D+03
      4   0.110539D+03 -0.373974D+03 -0.324118D+03
      5  -0.126400D+03 -0.196779D+03  0.496192D+02
      6  -0.305162D+03  0.106592D+03 -0.178635D+03
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.130222D+01  0.163727D+01 -0.233786D+00  0.649383D+00 -0.103207D+01
      2   0.163727D+01 -0.209817D+01  0.535941D+00 -0.103207D+01  0.228180D+01
      3  -0.233786D+00  0.535941D+00 -0.109035D+01 -0.429561D+00  0.309215D-01
                 6             7             8             9            10 
      1  -0.429561D+00 -0.169361D+00  0.174999D+00 -0.708907D+00 -0.415721D+01
      2   0.309215D-01  0.174999D+00 -0.311244D+00  0.105472D+01  0.819625D-01
      3   0.126522D+01 -0.708907D+00  0.105472D+01  0.160043D-01 -0.232920D+01
                11            12            13            14            15 
      1   0.819625D-01 -0.232920D+01 -0.223520D+01 -0.394842D+00 -0.157492D+01
      2  -0.693609D+00 -0.184619D+01 -0.394842D+00  0.215318D+01 -0.183441D+01
      3  -0.184619D+01 -0.757105D+01 -0.157492D+01 -0.183441D+01 -0.171857D+01
                16            17            18            19            20 
      1  -0.325655D+01 -0.228780D+00 -0.546174D+01  0.499536D+01 -0.987663D+00
      2  -0.228780D+00 -0.447461D+01  0.607526D+00 -0.987663D+00  0.332358D+01
      3  -0.546174D+01  0.607526D+00 -0.680394D+01  0.272165D+01  0.321048D+00
                21            22            23            24            25 
      1   0.272165D+01  0.281178D+01  0.193703D+01  0.238874D+01  0.365298D+01
      2   0.321048D+00  0.193703D+01  0.465317D+00  0.386121D+00 -0.132267D+01
      3  -0.350425D+00  0.238874D+01  0.386121D+00  0.837583D+00  0.382874D+01
                26            27            28            29            30 
      1  -0.132267D+01  0.382874D+01  0.763551D+00  0.271915D+00  0.137502D+01
      2   0.107301D+01 -0.178767D+01  0.271915D+00  0.628847D-01  0.687182D-01
      3  -0.178767D+01  0.112331D+02  0.137502D+01  0.687182D-01  0.178689D+01
                31            32            33            34            35 
      1   0.244950D+00  0.815595D+00  0.112900D+01  0.137029D+01  0.115193D+01
      2   0.815595D+00  0.208772D+01  0.295298D+01  0.115193D+01  0.197222D+01
      3   0.112900D+01  0.295298D+01  0.554136D+01  0.195612D+01  0.312567D+01
                36            37            38            39            40 
      1   0.195612D+01  0.512760D+01  0.124439D+01  0.182251D+01  0.759684D+01
      2   0.312567D+01  0.124439D+01  0.215422D+01  0.107937D+01 -0.156418D+01
      3   0.612627D+01  0.182251D+01  0.107937D+01  0.302775D+01  0.199210D+01
                41            42            43            44            45 
      1  -0.156418D+01  0.199210D+01  0.459002D+01 -0.392728D+01  0.542062D+01
      2   0.270890D+01 -0.505034D+00 -0.392728D+01  0.404678D+01 -0.319171D+01
      3  -0.505034D+00 -0.180844D+01  0.542062D+01 -0.319171D+01  0.984068D+01
                46            47            48            49            50 
      1   0.790445D+01 -0.142679D+01  0.611192D+01 -0.779611D+00  0.833627D+00
      2  -0.142679D+01  0.648388D+00 -0.132923D+01  0.833627D+00 -0.265837D+00
      3   0.611192D+01 -0.132923D+01  0.572964D+01  0.119162D+00  0.636223D+00
                51            52            53            54            55 
      1   0.119162D+00  0.544674D+01 -0.292698D+00  0.473176D+01 -0.769896D+00
      2   0.636223D+00 -0.292698D+00  0.317593D+00 -0.296492D+00  0.948022D+00
      3   0.100440D+01  0.473176D+01 -0.296492D+00  0.469445D+01 -0.331105D+01
                56            57            58            59            60 
      1   0.948022D+00 -0.331105D+01 -0.556808D+01  0.788343D+00 -0.522993D+01
      2  -0.186600D+01  0.206655D+01  0.788343D+00 -0.482726D+01  0.396768D+01
      3   0.206655D+01 -0.182501D+01 -0.522993D+01  0.396768D+01 -0.646214D+01
                61            62            63            64            65 
      1  -0.995261D+01  0.192751D+01 -0.558713D+01  0.506748D+01 -0.429761D+01
      2   0.192751D+01  0.652106D+00  0.173200D+00 -0.429761D+01  0.429373D+01
      3  -0.558713D+01  0.173200D+00 -0.608922D+01  0.103792D+01 -0.109493D+01
                66            67            68            69            70 
      1   0.103792D+01 -0.464191D+01  0.460507D+01 -0.440601D+00  0.454915D+00
      2  -0.109493D+01  0.460507D+01 -0.544761D+01  0.652148D+00  0.377584D-01
      3   0.681642D+00 -0.440601D+00  0.652148D+00 -0.417431D+00  0.501312D+00
                71            72            73            74            75 
      1   0.377584D-01  0.501312D+00  0.125022D+02 -0.320836D+01  0.113626D+02
      2  -0.657506D+00 -0.596328D+00 -0.320836D+01  0.211907D+01 -0.156026D+01
      3  -0.596328D+00  0.945914D-01  0.113626D+02 -0.156026D+01  0.108173D+02
                76            77            78            79            80 
      1  -0.165281D+02  0.361249D+01 -0.183890D+02 -0.213733D+01 -0.724003D-01
      2   0.361249D+01 -0.637881D+01 -0.343901D+00 -0.724003D-01 -0.532493D+00
      3  -0.183890D+02 -0.343901D+00 -0.209857D+02 -0.203882D+01 -0.220444D+01
                81            82            83            84            85 
      1  -0.203882D+01  0.178459D+02 -0.104940D+02  0.942450D+01  0.761200D+01
      2  -0.220444D+01 -0.104940D+02  0.181019D+02 -0.114371D+01 -0.185371D+01
      3  -0.522870D+01  0.942450D+01 -0.114371D+01  0.121637D+02  0.580446D+01
                86            87            88            89            90 
      1  -0.185371D+01  0.580446D+01  0.106582D+02 -0.616968D+01  0.127570D+02
      2  -0.117998D+01  0.210898D+01 -0.616968D+01  0.158471D+02 -0.460898D+01
      3   0.210898D+01  0.673038D+01  0.127570D+02 -0.460898D+01  0.140240D+02
                91            92            93            94            95 
      1  -0.221547D+02  0.494946D+01 -0.185644D+02  0.981846D+01 -0.317216D+00
      2   0.494946D+01 -0.553570D+01  0.145402D+01 -0.317216D+00  0.415825D+01
      3  -0.185644D+02  0.145402D+01 -0.183250D+02  0.128198D+02  0.924477D+00
                96            97            98            99           100 
      1   0.128198D+02 -0.398009D+01  0.295581D+01 -0.333204D+01  0.108714D+02
      2   0.924477D+00  0.295581D+01 -0.861635D+00  0.288615D+01  0.181728D+01
      3   0.148934D+02 -0.333204D+01  0.288615D+01 -0.284509D+01  0.965501D+01
               101           102           103           104           105 
      1   0.181728D+01  0.965501D+01  0.262978D+02 -0.225803D+02  0.153868D+02
      2  -0.529386D+01 -0.133229D+00 -0.225803D+02  0.402737D+02 -0.929813D+01
      3  -0.133229D+00  0.861866D+01  0.153868D+02 -0.929813D+01  0.989131D+01
               106           107           108           109           110 
      1   0.189463D+02 -0.102301D+02  0.134992D+02 -0.741722D+01 -0.486085D+01
      2  -0.102301D+02  0.168033D+02 -0.406627D+01 -0.486085D+01  0.826496D+01
      3   0.134992D+02 -0.406627D+01  0.117701D+02 -0.821363D+01  0.823970D+00
               111           112           113           114           115 
      1  -0.821363D+01 -0.290745D+02  0.263037D+02 -0.178456D+02 -0.154900D+02
      2   0.823970D+00  0.263037D+02 -0.464959D+02  0.121914D+02  0.946909D+01
      3  -0.555189D+01 -0.178456D+02  0.121914D+02 -0.114010D+02 -0.117276D+02
               116           117           118           119           120 
      1   0.946909D+01 -0.117276D+02 -0.222456D+02  0.190706D+02 -0.116883D+02
      2  -0.134684D+02  0.320864D+01  0.190706D+02 -0.330667D+02  0.837766D+01
      3   0.320864D+01 -0.102392D+02 -0.116883D+02  0.837766D+01 -0.901986D+01
               121           122           123           124           125 
      1   0.621503D+01 -0.124190D+02  0.390739D+01 -0.937569D+01  0.909838D+01
      2  -0.124190D+02  0.145376D+02 -0.478294D+01  0.909838D+01 -0.119095D+02
      3   0.390739D+01 -0.478294D+01  0.297458D+01 -0.650900D+01  0.180413D+01
               126           127           128           129           130 
      1  -0.650900D+01  0.200030D+02 -0.103602D+02  0.670297D+01  0.554113D+00
      2   0.180413D+01 -0.103602D+02  0.674018D+02 -0.570745D+01  0.148352D+02
      3  -0.117566D+02  0.670297D+01 -0.570745D+01  0.239762D+01 -0.774047D+00
               131           132           133           134           135 
      1   0.148352D+02 -0.774047D+00  0.608155D+01  0.141768D+01  0.154770D+01
      2   0.181072D+02  0.427281D+01  0.141768D+01  0.248231D+02 -0.335884D+00
      3   0.427281D+01 -0.377098D-01  0.154770D+01 -0.335884D+00  0.500803D+00
               136           137           138           139           140 
      1  -0.198109D+02  0.761140D+01 -0.586048D+01 -0.798610D+00 -0.874205D+01
      2   0.761140D+01 -0.672937D+02  0.657429D+01 -0.874205D+01 -0.147462D+02
      3  -0.586048D+01  0.657429D+01 -0.143639D+01 -0.595010D+00 -0.186689D+01
               141           142           143           144           145 
      1  -0.595010D+00 -0.463642D+01  0.138244D+01 -0.440109D+01 -0.115951D+02
      2  -0.186689D+01  0.138244D+01 -0.234630D+02  0.145034D+01 -0.128887D-01
      3  -0.420255D+00 -0.440109D+01  0.145034D+01 -0.215162D+01 -0.496695D+01
               146           147           148           149           150 
      1  -0.128887D-01 -0.496695D+01  0.109048D+02  0.929861D+00  0.915250D+01
      2  -0.124051D+02 -0.919102D-01  0.929861D+00  0.366364D+02 -0.186793D+01
      3  -0.919102D-01 -0.520017D+01  0.915250D+01 -0.186793D+01  0.741520D+01
               151           152           153           154           155 
      1   0.271825D+01  0.225803D+01 -0.321426D+01  0.172267D+02 -0.392140D+01
      2   0.225803D+01  0.559264D+01  0.235986D+00 -0.392140D+01  0.142057D+02
      3  -0.321426D+01  0.235986D+00 -0.469450D+01  0.130753D+02 -0.227059D+01
               156           157           158           159           160 
      1   0.130753D+02 -0.132439D+02 -0.160546D+01 -0.604992D+01  0.413916D+01
      2  -0.227059D+01 -0.160546D+01 -0.217074D+02  0.252702D+01 -0.123031D+00
      3   0.104649D+02 -0.604992D+01  0.252702D+01 -0.482364D+01  0.300800D+01
               161           162           163           164           165 
      1  -0.123031D+00  0.300800D+01  0.353022D+02  0.191112D+02 -0.178289D+01
      2   0.215021D+01 -0.533137D+01  0.191112D+02  0.304944D+02 -0.336479D+00
      3  -0.533137D+01 -0.558319D+00 -0.178289D+01 -0.336479D+00  0.731937D+00
               166           167           168           169           170 
      1  -0.163739D+02 -0.157741D+02 -0.397383D+00 -0.420114D+01 -0.456850D+01
      2  -0.157741D+02 -0.497411D+02 -0.222438D+01 -0.456850D+01 -0.149033D+02
      3  -0.397383D+00 -0.222438D+01 -0.235527D+00  0.588366D+00 -0.108665D+01
               171           172           173           174           175 
      1   0.588366D+00 -0.316430D+02 -0.178650D+02  0.184658D+01  0.211856D+02
      2  -0.108665D+01 -0.178650D+02 -0.275289D+02  0.115242D+01  0.214497D+02
      3  -0.310730D+00  0.184658D+01  0.115242D+01  0.634439D+00 -0.142340D+00
               176           177           178           179           180 
      1   0.214497D+02 -0.142340D+00  0.389325D+01  0.454285D+01 -0.183605D+01
      2   0.601010D+02  0.126246D+01  0.454285D+01  0.133311D+02  0.225117D+01
      3   0.126246D+01  0.159409D+00 -0.183605D+01  0.225117D+01  0.950252D+00
               181           182           183           184           185 
      1   0.147013D+02  0.904190D+01 -0.275867D+00  0.235923D+02  0.246072D+01
      2   0.904190D+01  0.104078D+02 -0.173942D+01  0.246072D+01  0.268647D+02
      3  -0.275867D+00 -0.173942D+01 -0.106655D+01  0.289967D+01 -0.414250D+01
               186           187           188           189           190 
      1   0.289967D+01  0.101615D+02  0.133613D+01 -0.304299D+01 -0.496744D+01
      2  -0.414250D+01  0.133613D+01  0.624426D+01  0.320309D+01 -0.440576D+01
      3   0.234077D+01 -0.304299D+01  0.320309D+01  0.669819D+00  0.178123D+01
               191           192           193           194           195 
      1  -0.440576D+01  0.178123D+01 -0.237886D+02  0.352262D+01 -0.296994D-01
      2   0.382914D+01 -0.146443D+01  0.352262D+01 -0.386393D+02  0.493145D+01
      3  -0.146443D+01 -0.120303D+01 -0.296994D-01  0.493145D+01 -0.117744D+01
               196           197           198           199           200 
      1  -0.485636D+01  0.178048D+01 -0.479165D+01 -0.166620D+02 -0.124340D+02
      2   0.178048D+01 -0.709406D+01 -0.673234D+00 -0.124340D+02 -0.914470D+01
      3  -0.479165D+01 -0.673234D+00 -0.237608D+01 -0.562457D-01  0.100187D+01
               201           202           203           204           205 
      1  -0.562457D-01 -0.409555D+02 -0.801086D+01  0.944784D+01 -0.181373D+02
      2   0.100187D+01 -0.801086D+01 -0.109277D+02  0.180263D+00 -0.254355D+01
      3  -0.124678D+00  0.944784D+01  0.180263D+00 -0.217366D+01  0.303854D+01
               206           207           208           209           210 
      1  -0.254355D+01  0.303854D+01 -0.279727D+02 -0.147391D+02  0.418527D+01
      2  -0.360336D+01 -0.117671D+01 -0.147391D+02 -0.367101D+02 -0.184506D+01
      3  -0.117671D+01 -0.150081D+01  0.418527D+01 -0.184506D+01 -0.437315D+01
               211           212           213           214           215 
      1  -0.131551D+02 -0.166145D+02  0.224686D+01 -0.182597D+01 -0.259906D+01
      2  -0.166145D+02 -0.366489D+02 -0.156948D+01 -0.259906D+01 -0.957577D+01
      3   0.224686D+01 -0.156948D+01 -0.811938D+00 -0.480779D+01  0.112891D+01
               216           217           218           219           220 
      1  -0.480779D+01  0.426120D+02  0.136055D+02 -0.855727D+01 -0.628855D+01
      2   0.112891D+01  0.136055D+02  0.303232D+02  0.128176D+01  0.179309D+00
      3   0.248429D+01 -0.855727D+01  0.128176D+01  0.452563D+01  0.193809D+01
               221           222           223           224           225 
      1   0.179309D+00  0.193809D+01 -0.449269D+01 -0.377561D+00  0.336566D+01
      2   0.998597D+01 -0.140963D+01 -0.377561D+00 -0.764634D+00  0.547358D+01
      3  -0.140963D+01  0.434689D+00  0.336566D+01  0.547358D+01  0.197147D+01
               226           227           228           229           230 
      1  -0.907235D+01  0.322703D+01  0.449798D+01  0.460466D+02  0.108213D+02
      2   0.322703D+01  0.186182D+01 -0.324277D+00  0.108213D+02  0.128045D+02
      3   0.449798D+01 -0.324277D+00 -0.160986D+01 -0.105562D+02 -0.138533D+00
               231           232           233           234           235 
      1  -0.105562D+02  0.165533D+02  0.336323D+01 -0.440174D+01 -0.517662D+01
      2  -0.138533D+00  0.336323D+01  0.282484D+01  0.147875D+01 -0.603637D+01
      3   0.212132D+01 -0.440174D+01  0.147875D+01  0.240379D+01 -0.788752D+00
               236           237           238           239           240 
      1  -0.603637D+01 -0.788752D+00  0.412251D+01  0.298008D+01 -0.252385D+00
      2  -0.643632D+01  0.653499D+00  0.298008D+01  0.408523D+01 -0.210446D+01
      3   0.653499D+00  0.205071D+00 -0.252385D+00 -0.210446D+01  0.815763D+00
               241           242           243           244           245 
      1   0.435727D+01  0.258735D+01  0.160154D+01  0.131615D+02  0.385962D+01
      2   0.258735D+01 -0.208440D+00  0.261328D+01  0.385962D+01  0.818942D+01
      3   0.160154D+01  0.261328D+01  0.237820D+01 -0.165378D+01  0.638708D+00
               246           247           248           249           250 
      1  -0.165378D+01  0.597526D+01 -0.387426D+01 -0.577936D+01  0.108858D+01
      2   0.638708D+00 -0.387426D+01 -0.307342D+01 -0.674181D+00 -0.421471D+01
      3   0.310331D+01 -0.577936D+01 -0.674181D+00  0.134430D+01  0.246330D+01
               251           252           253           254           255 
      1  -0.421471D+01  0.246330D+01  0.194880D+02  0.324974D+01 -0.474823D+01
      2  -0.474004D+01  0.184964D+01  0.324974D+01  0.447686D+01  0.442624D+00
      3   0.184964D+01 -0.121219D+01 -0.474823D+01  0.442624D+00  0.139900D+01
               256           257           258           259           260 
      1  -0.529993D+01  0.164822D+01  0.142828D+01 -0.585512D+01 -0.120889D+01
      2   0.164822D+01  0.269140D+01  0.126960D+00 -0.120889D+01  0.627634D+00
      3   0.142828D+01  0.126960D+00  0.875488D+00  0.396107D+01  0.909330D+00
               261           262           263           264           265 
      1   0.396107D+01 -0.242535D+02  0.527874D+00  0.806099D+01 -0.141480D+01
      2   0.909330D+00  0.527874D+00 -0.347149D+01 -0.172986D+01 -0.710365D+00
      3  -0.206038D+01  0.806099D+01 -0.172986D+01 -0.342222D+01  0.156168D+01
               266           267           268           269           270 
      1  -0.710365D+00  0.156168D+01  0.283927D+01  0.125221D+01 -0.160697D+01
      2  -0.306979D+01  0.768495D+00  0.125221D+01  0.360477D+01 -0.224303D+01
      3   0.768495D+00 -0.116722D+01 -0.160697D+01 -0.224303D+01 -0.841799D+00
               271           272           273           274           275 
      1   0.326207D+01 -0.426156D+01  0.653171D-01 -0.299395D+01  0.455848D+01
      2  -0.426156D+01  0.628571D+01 -0.121973D+00  0.455848D+01 -0.879157D+01
      3   0.653171D-01 -0.121973D+00  0.760773D+00  0.814121D+00 -0.104483D+01
               276           277           278           279           280 
      1   0.814121D+00  0.873637D+00  0.106507D+00  0.737304D+00 -0.818092D+00
      2  -0.104483D+01  0.106507D+00 -0.144329D+01 -0.548599D+00 -0.591472D+00
      3  -0.289647D+00  0.737304D+00 -0.548599D+00 -0.808001D-01 -0.107758D+01
               281           282           283           284           285 
      1  -0.591472D+00 -0.107758D+01 -0.162814D+00 -0.118571D+01 -0.343833D+00
      2  -0.179798D+01 -0.695889D+00 -0.118571D+01 -0.989550D+01 -0.469948D+01
      3  -0.695889D+00 -0.135847D+01 -0.343833D+00 -0.469948D+01 -0.311487D+01
               286           287           288           289           290 
      1  -0.966826D+00 -0.125634D+01 -0.653861D+00 -0.119823D+02 -0.317086D+01
      2  -0.125634D+01 -0.512024D+01 -0.346796D+01 -0.317086D+01 -0.114988D+01
      3  -0.653861D+00 -0.346796D+01 -0.197107D+01 -0.494724D+01 -0.114068D+01
               291           292           293           294           295 
      1  -0.494724D+01 -0.159733D+01 -0.204118D+01 -0.110177D+01 -0.470778D+01
      2  -0.114068D+01 -0.204118D+01  0.495776D-02 -0.813382D+00 -0.135051D+01
      3  -0.284535D+01 -0.110177D+01 -0.813382D+00 -0.952576D+00 -0.196256D+01
               296           297           298           299           300 
      1  -0.135051D+01 -0.196256D+01 -0.136728D+01 -0.227360D+01 -0.101345D+01
      2  -0.879033D+00 -0.106331D+01 -0.227360D+01 -0.143496D+01 -0.167187D+01
      3  -0.106331D+01 -0.101331D+01 -0.101345D+01 -0.167187D+01 -0.987924D+00
               301           302           303           304           305 
      1  -0.215800D+01 -0.351421D+01 -0.193297D+01 -0.109753D+01 -0.269097D+01
      2  -0.351421D+01 -0.961393D+01 -0.474060D+01 -0.269097D+01 -0.476471D+01
      3  -0.193297D+01 -0.474060D+01 -0.297728D+01 -0.130367D+01 -0.247119D+01
               306           307           308           309           310 
      1  -0.130367D+01 -0.879021D+01  0.577211D+01  0.358965D+00  0.628140D+01
      2  -0.247119D+01  0.577211D+01 -0.326116D+01 -0.560052D-01 -0.501422D+01
      3  -0.211209D+01  0.358965D+00 -0.560052D-01 -0.604051D+00 -0.642912D+00
               311           312           313           314           315 
      1  -0.501422D+01 -0.642912D+00  0.710035D+00 -0.818261D+00 -0.412656D+00
      2   0.550796D+01  0.705244D+00 -0.818261D+00  0.126854D+01 -0.209888D+00
      3   0.705244D+00  0.460711D+00 -0.412656D+00 -0.209888D+00  0.207698D+00
               316           317           318           319           320 
      1  -0.151074D+02 -0.783821D+00 -0.322082D+01 -0.193282D+01 -0.139503D+01
      2  -0.783821D+00 -0.158681D+00 -0.207105D+00 -0.139503D+01 -0.131533D+01
      3  -0.322082D+01 -0.207105D+00 -0.140695D+01 -0.847560D+00 -0.493342D+00
               321           322           323           324           325 
      1  -0.847560D+00 -0.417598D+01 -0.592039D+00 -0.101891D+01 -0.656826D+01
      2  -0.493342D+00 -0.592039D+00  0.868178D-01  0.335110D+00  0.474763D+01
      3  -0.302474D+00 -0.101891D+01  0.335110D+00 -0.583614D+00  0.148965D+01
               326           327           328           329           330 
      1   0.474763D+01  0.148965D+01  0.345840D+01 -0.520809D+01 -0.149667D+01
      2  -0.546592D+01 -0.131479D+01 -0.520809D+01  0.625537D+01  0.158481D+01
      3  -0.131479D+01 -0.854814D+00 -0.149667D+01  0.158481D+01  0.106191D+01
               331           332           333           334           335 
      1   0.106850D+01 -0.187168D+01 -0.485268D-01  0.111216D+01  0.180400D+01
      2  -0.187168D+01  0.992531D+00  0.977867D+00  0.180400D+01  0.230740D+01
      3  -0.485268D-01  0.977867D+00  0.209523D+00  0.225171D+00  0.442698D+00
               336           337           338           339           340 
      1   0.225171D+00  0.471153D+00  0.394686D+00  0.237027D+00 -0.347991D+00
      2   0.442698D+00  0.394686D+00  0.134336D+02  0.380161D+01 -0.160773D-01
      3   0.232517D+00  0.237027D+00  0.380161D+01  0.172906D+01 -0.247667D+00
               341           342           343           344           345 
      1  -0.160773D-01 -0.247667D+00  0.131607D+01  0.188720D+01  0.417711D+00
      2   0.469018D+01  0.114724D+01  0.188720D+01  0.263096D+01  0.524711D+00
      3   0.114724D+01  0.844157D+00  0.417711D+00  0.524711D+00  0.375192D+00
               346           347           348           349           350 
      1   0.142958D+01  0.340222D+01  0.106539D+01  0.672088D+00  0.900879D+00
      2   0.340222D+01  0.111136D+02  0.298117D+01  0.900879D+00  0.372679D+01
      3   0.106539D+01  0.298117D+01  0.151527D+01  0.249107D+00  0.131577D+01
               351           352           353           354           355 
      1   0.249107D+00  0.101068D+02  0.473506D+01 -0.423882D+00  0.319748D+01
      2   0.131577D+01  0.473506D+01  0.295997D+01 -0.150331D+00  0.247755D+01
      3   0.699588D+00 -0.423882D+00 -0.150331D+00  0.723311D+00  0.400228D+00
               356           357           358           359           360 
      1   0.247755D+01  0.400228D+00 -0.837826D-02  0.473229D+00  0.783615D-01
      2   0.222412D+01  0.163473D+00  0.473229D+00  0.577489D+00  0.169171D+00
      3   0.163473D+00  0.249991D+00  0.783615D-01  0.169171D+00  0.323775D+00
               361           362           363           364           365 
      1   0.118956D+02 -0.233248D+01 -0.262584D+01  0.132815D+01  0.583640D+01
      2  -0.233248D+01  0.179949D+01  0.185273D+00  0.583640D+01 -0.293271D+01
      3  -0.262584D+01  0.185273D+00  0.219163D+01 -0.205833D+00 -0.264592D+01
               366           367           368           369           370 
      1  -0.205833D+00 -0.454187D+00  0.838915D+00  0.557560D+01 -0.143119D+01
      2  -0.264592D+01  0.838915D+00 -0.118747D+01 -0.146102D+01 -0.737359D+00
      3  -0.112577D+01  0.557560D+01 -0.146102D+01 -0.656227D+01  0.121475D+00
               371           372           373           374           375 
      1  -0.737359D+00  0.121475D+00 -0.802484D+00 -0.540816D+00  0.318413D+00
      2  -0.132956D+01  0.350550D+00 -0.540816D+00 -0.278420D+01  0.432242D-01
      3   0.350550D+00 -0.343693D+00  0.318413D+00  0.432242D-01 -0.125880D+01
               376           377           378 
      1  -0.150574D+00 -0.580599D+00  0.206377D+00
      2  -0.580599D+00 -0.129036D+01 -0.578546D+00
      3   0.206377D+00 -0.578546D+00 -0.450277D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.762819D+01 -0.121370D+02  0.297632D+01 -0.680122D+01  0.139758D+02
      2   0.702374D+01 -0.900540D+01  0.382821D+01 -0.478552D+01  0.816809D+01
      3  -0.410386D+01  0.121816D+01  0.263143D+00  0.663248D+01 -0.689673D+01
                 6             7             8             9            10 
      1  -0.305298D+01  0.950757D+00  0.104672D+01  0.489237D+01 -0.163508D+02
      2  -0.129247D+01  0.132712D+01 -0.102023D+01  0.342298D+01  0.876150D+01
      3   0.265469D+01 -0.220041D+01 -0.342184D+00 -0.391284D+01  0.263862D+02
                11            12            13            14            15 
      1   0.585958D+01 -0.337819D+02 -0.121406D+02  0.159718D+02 -0.156231D+02
      2   0.643484D+01 -0.415053D+01  0.348797D+01  0.750777D+01  0.361811D+01
      3  -0.150278D+02  0.379602D+02  0.219164D+02 -0.218820D+02  0.156053D+02
                16            17            18            19            20 
      1  -0.176476D+02 -0.540169D+01 -0.606492D+01  0.135495D+02  0.477346D+01
      2  -0.113507D+02  0.833521D+01  0.230048D+01 -0.168764D+00 -0.197278D+01
      3   0.256449D+02 -0.882086D+01  0.252273D+02 -0.233804D+02  0.602690D+01
                21            22            23            24            25 
      1   0.166900D+02  0.143162D+02  0.965752D+01  0.866060D+00  0.786221D+01
      2   0.338769D+01 -0.242186D+01 -0.731753D+01 -0.412296D+01 -0.696325D+01
      3  -0.299184D+02 -0.125087D+02 -0.263115D+02 -0.290862D+01 -0.230258D+02
                26            27            28            29            30 
      1  -0.670289D+00  0.235783D+02  0.257042D+01 -0.161172D+01  0.212860D+01
      2   0.549539D+01  0.712981D+01  0.216821D+00 -0.140273D+01 -0.159997D+00
      3   0.146370D+02 -0.349014D+02 -0.328168D+01  0.159198D+01 -0.418447D+01
                31            32            33            34            35 
      1   0.376786D+01  0.135109D+02  0.158350D+02  0.726758D+01  0.155128D+02
      2  -0.291068D+00  0.224561D+01  0.681589D+01 -0.354818D+01  0.152126D+01
      3  -0.135538D+01 -0.805924D+01 -0.131283D+02 -0.314123D+01 -0.987263D+01
                36            37            38            39            40 
      1   0.177346D+02  0.166019D+02  0.601901D+01  0.669941D+01  0.893470D+01
      2   0.225407D+01 -0.788578D+01 -0.240013D+01  0.860302D+00 -0.134028D+02
      3  -0.109705D+02 -0.293223D+02 -0.161701D+02 -0.112353D+02 -0.328177D+02
                41            42            43            44            45 
      1  -0.907263D+01  0.559953D+01  0.939274D+01 -0.101096D+01  0.294632D+02
      2  -0.996977D+00 -0.159514D+01  0.127430D+01 -0.190685D+01  0.115551D+02
      3   0.127282D+02 -0.132700D+02 -0.227648D+02  0.317909D+02 -0.276003D+02
                46            47            48            49            50 
      1   0.898760D+01  0.725845D+00  0.835909D+01  0.218511D+01  0.674862D+00
      2  -0.956324D+01  0.424424D+00 -0.113673D+01  0.392263D+01 -0.143034D+01
      3  -0.165190D+02 -0.316864D-01 -0.123680D+02  0.700497D+00 -0.978621D+00
                51            52            53            54            55 
      1   0.406912D+01  0.107023D+02  0.244424D+01  0.970275D+01 -0.236634D+02
      2   0.323027D+01 -0.773150D+01  0.643606D+00 -0.260745D+01 -0.121927D+02
      3  -0.250183D+01 -0.159279D+02 -0.282588D+01 -0.136533D+02  0.169524D+02
                56            57            58            59            60 
      1   0.182142D+02 -0.165188D+02 -0.212243D+02  0.381372D+01 -0.227185D+02
      2   0.164656D+02  0.284110D+01  0.327450D+01  0.123825D+02 -0.257111D+01
      3  -0.252353D+02  0.173888D+02  0.340507D+02 -0.341886D+01  0.191869D+02
                61            62            63            64            65 
      1  -0.279180D+02  0.261672D+02 -0.297230D+02 -0.548476D+01  0.500769D+01
      2  -0.432760D+01  0.579318D+01 -0.184803D+02 -0.770915D+01  0.572213D+01
      3   0.580995D+02 -0.493971D+02  0.421238D+02 -0.850295D+01  0.217869D+01
                66            67            68            69            70 
      1   0.341463D+00  0.720219D+01 -0.863186D+01 -0.307330D+01  0.738421D+00
      2   0.514429D+00  0.898342D+01 -0.894525D+01 -0.200400D+01 -0.137634D+01
      3   0.896610D-01  0.824634D+01 -0.340094D+01  0.104236D+01 -0.755039D+00
                71            72            73            74            75 
      1  -0.260956D+01 -0.142357D+01  0.516968D+02 -0.258989D+02  0.515111D+02
      2  -0.728288D+00 -0.137880D+01  0.200000D+02 -0.761172D+01  0.164886D+02
      3   0.332761D+01  0.392752D+00 -0.905204D+02  0.525057D+02 -0.821987D+02
                76            77            78            79            80 
      1  -0.802034D+02 -0.319583D+02 -0.979738D+02 -0.134349D+01 -0.237188D+02
      2  -0.229042D+01 -0.243846D+02 -0.934791D+01 -0.352126D+01 -0.144014D+02
      3   0.131975D+03 -0.215271D+01  0.160147D+03  0.206445D+02  0.374171D+02
                81            82            83            84            85 
      1  -0.157367D+02  0.450021D+02 -0.504535D+01  0.513477D+02  0.183768D+02
      2  -0.112762D+02  0.198004D+02 -0.210696D+00  0.149267D+02  0.624640D+01
      3   0.318753D+02 -0.152676D+03  0.996311D+02 -0.862372D+02 -0.587096D+02
                86            87            88            89            90 
      1   0.255885D+02  0.250399D+02  0.627297D+02 -0.527214D+01  0.737123D+02
      2   0.166061D+02  0.842890D+01 -0.260876D+01  0.829195D+01  0.516810D+01
      3  -0.971110D+01 -0.579714D+02 -0.959992D+02  0.548213D+02 -0.119722D+03
                91            92            93            94            95 
      1  -0.490585D+02 -0.129448D+02 -0.561445D+02  0.382292D+02  0.453988D+01
      2   0.243286D+02 -0.182907D+02  0.158384D+02  0.677112D+00  0.322989D+01
      3   0.960616D+02 -0.328385D+02  0.898996D+02 -0.643603D+02  0.539671D+01
                96            97            98            99           100 
      1   0.430580D+02  0.302157D+01 -0.110200D+02  0.104980D+01  0.152311D+02
      2  -0.556186D+01  0.513941D+01 -0.110225D+02 -0.370419D+01 -0.635648D+01
      3  -0.761133D+02 -0.141537D+01  0.243436D+02  0.336094D+01 -0.342904D+02
               101           102           103           104           105 
      1   0.878700D+01  0.188508D+02  0.641507D+02 -0.385886D+02  0.334198D+02
      2   0.128377D+02  0.159807D+00  0.108848D+02 -0.850244D+00  0.353418D+01
      3  -0.427058D+02 -0.413209D+02 -0.172321D+03  0.211374D+03 -0.819811D+02
               106           107           108           109           110 
      1   0.362575D+02 -0.172204D+01  0.280592D+02 -0.266743D+02 -0.196001D+02
      2  -0.165104D+02  0.958312D+00 -0.167252D+02  0.155569D+01 -0.203505D+02
      3  -0.860317D+02  0.123857D+03 -0.575441D+02  0.626277D+02  0.566192D+02
               111           112           113           114           115 
      1  -0.251005D+02 -0.954763D+02  0.694221D+02 -0.545745D+02 -0.503728D+02
      2  -0.689859D+01 -0.191824D+02  0.237075D+02 -0.746177D+01 -0.267503D+02
      3   0.593077D+02  0.244005D+03 -0.330748D+03  0.134766D+03  0.119954D+03
               116           117           118           119           120 
      1   0.314744D+02 -0.367067D+02 -0.629688D+02  0.469873D+02 -0.440443D+02
      2   0.127488D+02 -0.990498D+01 -0.126865D+02  0.127373D+02 -0.540337D+01
      3  -0.107281D+03  0.734378D+02  0.195691D+03 -0.218759D+03  0.108244D+03
               121           122           123           124           125 
      1   0.272680D+02 -0.344078D+02  0.144076D+02 -0.361586D+02  0.176896D+02
      2   0.117724D+02 -0.173866D+02  0.527480D+01 -0.182298D+02  0.125546D+02
      3  -0.590559D+02  0.133136D+03 -0.326206D+02  0.721047D+02 -0.875228D+02
               126           127           128           129           130 
      1  -0.525026D+02  0.449410D+02 -0.732574D+02  0.159184D+02 -0.528001D+01
      2  -0.110424D+02  0.102375D+02 -0.369756D+02  0.474267D+01 -0.106265D+02
      3   0.548006D+02 -0.627097D+02  0.362159D+03 -0.279501D+02  0.808400D+02
               131           132           133           134           135 
      1  -0.173011D+02  0.210722D+00  0.569792D+01 -0.680619D+01 -0.553327D+01
      2  -0.179529D+02 -0.166529D+01 -0.198051D+02 -0.156775D+02 -0.701817D+01
      3   0.780771D+02  0.204355D+02  0.292558D+02  0.139174D+03  0.357554D+01
               136           137           138           139           140 
      1  -0.478891D+02  0.939258D+02 -0.187601D+02  0.752058D+01  0.178390D+02
      2  -0.114161D+02  0.704083D+02 -0.701977D+01  0.224079D+02  0.213189D+02
      3   0.692353D+02 -0.480201D+03  0.435329D+02 -0.684403D+02 -0.967093D+02
               141           142           143           144           145 
      1   0.653071D+00 -0.118314D+02  0.589540D+02 -0.214794D+01 -0.174455D+02
      2   0.637494D+01  0.550249D+00  0.305282D+02  0.957052D+00 -0.112291D+02
      3  -0.168026D+02 -0.893519D+01 -0.162362D+03  0.512446D+01  0.518504D+02
               146           147           148           149           150 
      1   0.512681D+01 -0.170617D+02  0.328381D+02 -0.675930D+02  0.266477D+02
      2   0.111704D+02  0.600926D+01 -0.810245D+01 -0.497592D+02 -0.616068D+01
      3  -0.772248D+02  0.212656D+02 -0.179846D+02  0.259587D+03 -0.329531D+02
               151           152           153           154           155 
      1  -0.132431D+02  0.107221D+02 -0.108457D+02  0.557667D+02 -0.203755D+02
      2   0.114825D+02 -0.787184D+01  0.925176D+01  0.212397D+02 -0.208331D+02
      3   0.174016D+01  0.458859D+02  0.141541D+02 -0.122140D+03  0.113052D+03
               156           157           158           159           160 
      1   0.415198D+02 -0.211620D+02  0.319361D+02 -0.216625D+02  0.944287D+01
      2   0.569512D+01 -0.229886D+01  0.109495D+02  0.304682D+01 -0.772500D+01
      3  -0.778740D+02  0.409846D+02 -0.133978D+03  0.342662D+02 -0.451889D+02
               161           162           163           164           165 
      1  -0.899596D+01  0.918016D+01 -0.113022D+02 -0.418141D+02  0.195751D+01
      2   0.286876D+02  0.102755D+02 -0.121760D+02 -0.136479D+02 -0.109648D+01
      3   0.144767D+02 -0.554230D+02  0.146091D+03  0.165351D+03 -0.116437D+01
               166           167           168           169           170 
      1  -0.222892D+01  0.381400D+02  0.645891D+00 -0.832503D+01  0.378695D+02
      2   0.195638D+02  0.263104D+02  0.217941D+01 -0.189480D+02  0.141838D+02
      3  -0.119940D+03 -0.235848D+03 -0.166735D+02 -0.643487D+01 -0.883175D+02
               171           172           173           174           175 
      1  -0.539329D+01  0.233765D+02  0.414333D+02  0.178231D+01 -0.101389D+01
      2   0.224208D+01  0.436524D+02  0.267478D+02 -0.146794D+00 -0.128042D+02
      3  -0.915087D+00 -0.232510D+03 -0.211650D+03  0.277206D+01  0.160375D+03
               176           177           178           179           180 
      1  -0.693819D+02  0.506964D+01  0.116195D+02 -0.766265D+00  0.185366D+01
      2  -0.545159D+02 -0.180114D+01 -0.107635D+02 -0.258080D+02 -0.639723D+01
      3   0.386504D+03  0.727475D+01  0.104420D+02  0.948421D+02  0.336483D+01
               181           182           183           184           185 
      1  -0.195248D+02 -0.235182D+02  0.700228D+00 -0.167545D+01 -0.408560D+02
      2  -0.276758D+02 -0.934314D+01  0.379533D+01 -0.188724D+02 -0.194084D+02
      3   0.133759D+03  0.980787D+02 -0.783908D+01  0.791977D+02  0.198337D+03
               186           187           188           189           190 
      1  -0.126116D+01  0.144080D+02 -0.436638D+01 -0.305521D+01  0.101422D+02
      2  -0.820534D+01 -0.199411D+01 -0.409017D+02 -0.960277D+01  0.502790D+01
      3  -0.181578D+02  0.299971D+02  0.551191D+02  0.167606D+02 -0.521143D+02
               191           192           193           194           195 
      1  -0.108077D+02  0.337909D+01 -0.248669D+02  0.499050D+02 -0.639958D+01
      2  -0.754102D+01  0.946171D+01 -0.117122D+02  0.421769D+02  0.270636D+00
      3   0.354004D+02 -0.107465D+02 -0.395328D+01 -0.291404D+03  0.344941D+02
               196           197           198           199           200 
      1   0.361943D+00  0.344420D+02  0.585871D+01  0.405131D+01  0.163113D+02
      2   0.187764D+02  0.219705D+02  0.115415D+02 -0.673977D+01 -0.554291D+01
      3  -0.724597D+01 -0.450489D+02 -0.138208D+02 -0.489704D+02 -0.378519D+02
               201           202           203           204           205 
      1   0.785828D+00  0.238333D+01  0.120165D+02 -0.106703D+01 -0.656603D+00
      2  -0.125755D+01  0.158503D+02 -0.133332D+00 -0.206418D+01 -0.611910D+01
      3  -0.121696D+01 -0.197873D+03 -0.523249D+02  0.443992D+02 -0.889960D+02
               206           207           208           209           210 
      1   0.233648D+02  0.252830D+01  0.575454D+01  0.403147D+02  0.113578D+02
      2  -0.380214D+00  0.323441D+01  0.250057D+02  0.329487D+02  0.511613D+01
      3  -0.525044D+02  0.176872D+02 -0.200367D+03 -0.228251D+03  0.163715D+02
               211           212           213           214           215 
      1  -0.629270D+01  0.383328D+02 -0.286439D+01  0.309464D+02  0.177298D+02
      2   0.127054D+02  0.428873D+02  0.390751D+00  0.941597D+00 -0.307924D+01
      3  -0.113942D+03 -0.256631D+03  0.514663D+01 -0.254577D+02 -0.558383D+02
               216           217           218           219           220 
      1  -0.590716D+01 -0.682154D+01 -0.393898D+02 -0.711493D+01  0.533951D+01
      2  -0.441378D+00 -0.370454D+02 -0.170052D+02  0.219368D+01  0.960917D+01
      3  -0.222214D+02  0.293868D+03  0.162678D+03 -0.484305D+02 -0.351120D+02
               221           222           223           224           225 
      1   0.588547D+01 -0.730335D+01 -0.133920D+02 -0.203195D+02 -0.107097D+02
      2  -0.825397D+01 -0.363894D+01 -0.199471D+02 -0.159175D+02 -0.757148D+01
      3   0.571497D+02  0.113695D+02 -0.324115D+02  0.102344D+02  0.423695D+02
               226           227           228           229           230 
      1   0.218083D+01 -0.330069D+00 -0.137615D+01  0.519954D+01 -0.262523D+02
      2  -0.432802D+01 -0.180981D+02 -0.338583D+01 -0.331016D+02 -0.244161D+01
      3  -0.422545D+02  0.830622D+02  0.204186D+02  0.316572D+03  0.834622D+02
               231           232           233           234           235 
      1   0.395869D+01 -0.190939D+01 -0.783435D+00 -0.360306D+01 -0.387335D+01
      2   0.871502D+01 -0.319347D+02 -0.567084D+01  0.661263D+01  0.110961D+02
      3  -0.747776D+02  0.104274D+03  0.227425D+02 -0.254195D+02 -0.598257D+02
               236           237           238           239           240 
      1   0.318003D+01  0.178548D+01  0.672470D+00  0.218658D+01 -0.461302D+01
      2   0.178964D+02 -0.255516D+01  0.175055D+01 -0.335874D+01  0.182237D+01
      3  -0.861727D+02  0.738337D+01  0.287550D+02  0.494156D+01 -0.260024D+01
               241           242           243           244           245 
      1  -0.915355D+01 -0.903371D+01 -0.901289D+01 -0.576282D+00 -0.659345D+01
      2  -0.189232D+02  0.324503D+01  0.105407D+02 -0.514378D+01 -0.599435D+01
      3   0.286426D+02  0.289451D+02 -0.658452D+00  0.684683D+02  0.324266D+02
               246           247           248           249           250 
      1  -0.923674D+01  0.148604D+02  0.308397D+01 -0.126967D+01 -0.140331D+02
      2   0.855540D+01 -0.590451D+00 -0.152834D+01 -0.399944D+01  0.639087D+01
      3  -0.805394D+01  0.765816D+01 -0.237415D+02 -0.102470D+02 -0.221700D+00
               251           252           253           254           255 
      1   0.580543D+01  0.823623D+01  0.680817D+01  0.224540D+01 -0.528478D+01
      2   0.900214D+01 -0.505720D+01 -0.228456D+02 -0.285377D+01  0.161223D+01
      3  -0.222047D+02  0.171270D+02  0.136136D+03  0.292672D+02 -0.458041D+02
               256           257           258           259           260 
      1   0.472248D+01 -0.119227D+02 -0.479314D+01 -0.105725D+02  0.784730D+01
      2  -0.339168D+01  0.331195D+01  0.802628D+01 -0.126364D+02 -0.253026D+01
      3   0.278816D+01  0.793574D+01 -0.136795D+02 -0.234117D+02 -0.178671D+02
               261           262           263           264           265 
      1   0.947617D+01 -0.905448D+01  0.228762D+01  0.487454D+01 -0.457680D+01
      2   0.745569D+01  0.989859D+01  0.879899D+01  0.697585D+00  0.468575D+01
      3   0.134932D+02 -0.133261D+03 -0.317619D+02  0.427597D+02 -0.321287D+01
               266           267           268           269           270 
      1  -0.157624D+01 -0.451841D+00  0.227862D+01  0.538001D+01  0.410150D+01
      2  -0.636697D+00 -0.368723D+01 -0.118236D+02 -0.458341D+01 -0.290781D+01
      3   0.187317D+02  0.818054D+01 -0.232011D+01 -0.652195D+01  0.862293D+01
               271           272           273           274           275 
      1   0.219820D+01 -0.237764D+01  0.565250D+01  0.325006D+01 -0.360653D+01
      2   0.123666D+01 -0.118709D+01  0.281183D+01 -0.434842D+00  0.122238D+01
      3  -0.173315D+02  0.171867D+02 -0.235909D+01  0.164787D+02 -0.206195D+02
               276           277           278           279           280 
      1  -0.235360D+01  0.240054D+01  0.623050D+00 -0.289104D+00 -0.519646D+01
      2  -0.109106D+01  0.913403D+00  0.222403D+00  0.218844D+00 -0.129679D+01
      3  -0.543830D+01 -0.891875D+01  0.101482D+01 -0.510667D+01  0.615222D+01
               281           282           283           284           285 
      1  -0.127069D+01 -0.678707D+01 -0.982722D+00 -0.116982D+02 -0.126063D+02
      2   0.277200D+00 -0.312489D+00 -0.109957D+01  0.155339D+01  0.193667D+01
      3  -0.324498D+01  0.659699D+01  0.921964D+00 -0.297194D+01 -0.248233D+01
               286           287           288           289           290 
      1  -0.102389D+01 -0.857750D+01 -0.567539D+01 -0.853054D+01  0.347591D+00
      2  -0.200006D+01  0.420341D+00  0.106967D+01  0.178479D+01  0.941434D+00
      3   0.697753D+01  0.290287D+01 -0.101604D+00  0.128833D+02 -0.231248D+01
               291           292           293           294           295 
      1  -0.565312D+01 -0.904778D-01 -0.187058D+01 -0.166615D+01 -0.122193D+01
      2   0.722669D+01  0.371488D+01 -0.115054D+01  0.276805D+01 -0.188853D+01
      3   0.601780D+01 -0.576398D+01  0.803952D+01 -0.672109D+00  0.506784D+01
               296           297           298           299           300 
      1  -0.153323D+01 -0.201796D+00  0.535119D+00 -0.356503D+01 -0.973358D+00
      2   0.116699D+01  0.217773D+01  0.267362D+01  0.174168D+01  0.345482D+01
      3  -0.401681D-01 -0.166585D+01 -0.611924D+01  0.343257D+01 -0.496265D+01
               301           302           303           304           305 
      1  -0.121216D+01  0.156069D+00 -0.507881D+01  0.703005D+00  0.230141D+01
      2   0.154121D+01  0.124847D+02  0.801731D+01  0.203527D+01  0.225619D+01
      3  -0.191330D+01 -0.270215D+02 -0.121097D+02 -0.598302D+01 -0.890128D+01
               306           307           308           309           310 
      1  -0.341239D+01 -0.339553D+01  0.568174D+00  0.264545D+01  0.344080D+01
      2   0.427788D+01 -0.372398D+01  0.586102D-03  0.436973D+01  0.388243D+01
      3  -0.414027D+01  0.125635D+02 -0.587328D+01  0.491220D+00 -0.969856D+01
               311           312           313           314           315 
      1  -0.464276D+01 -0.344146D+01 -0.177846D+00  0.900072D+00 -0.208214D+00
      2  -0.678132D+01 -0.429332D+01 -0.780150D+00  0.251006D+01 -0.344999D+00
      3   0.219344D+02  0.334542D+01 -0.164688D+01  0.661620D+01 -0.306927D+01
               316           317           318           319           320 
      1   0.141360D+01  0.641264D+00  0.297646D+00  0.980791D+00  0.279341D+01
      2   0.725645D+01  0.293010D+00  0.847394D+01  0.387076D+01  0.407228D+01
      3  -0.157679D+02 -0.307208D+01 -0.438384D+01 -0.753290D+01 -0.119805D+02
               321           322           323           324           325 
      1   0.675288D-01  0.633302D-02  0.179654D+00 -0.757531D+00 -0.171669D+01
      2   0.234410D+01 -0.438294D+00 -0.166653D+01  0.152870D+01  0.248880D+01
      3  -0.372738D+01 -0.668117D+01 -0.325523D+01  0.207446D+01 -0.165902D+02
               326           327           328           329           330 
      1   0.239267D+01  0.389070D+01  0.408163D+01 -0.124192D+01 -0.470583D+01
      2   0.349144D+00  0.322485D+01  0.169418D+01  0.146040D+00 -0.297186D+01
      3  -0.997326D+00  0.186938D+01 -0.245012D+00 -0.383992D+01 -0.197370D+01
               331           332           333           334           335 
      1  -0.324770D+01 -0.748239D+00 -0.108059D+01 -0.111696D+01 -0.114914D+01
      2  -0.173598D+01 -0.199226D-01 -0.126568D+01 -0.268678D+01 -0.249352D+01
      3  -0.144694D+01 -0.695643D+01  0.436622D+01  0.131894D+02  0.124004D+02
               336           337           338           339           340 
      1  -0.118534D+01 -0.131775D+01 -0.796455D+01 -0.845963D+01  0.292023D+01
      2   0.149534D+00 -0.173629D+01 -0.717849D+01 -0.242640D+01  0.826640D+00
      3   0.103800D+01  0.562828D+01  0.260305D+02  0.921376D+01 -0.231173D+01
               341           342           343           344           345 
      1   0.257185D+01 -0.248516D+01 -0.133904D+01 -0.932931D+00 -0.157277D+01
      2  -0.730191D+00 -0.789608D-01  0.913321D+00 -0.393042D-01  0.658654D+00
      3   0.716869D+01 -0.766044D+00  0.122815D+00  0.222723D+01  0.191142D+01
               346           347           348           349           350 
      1  -0.288761D+01 -0.740953D+01 -0.820603D+01 -0.533582D+00 -0.122352D+01
      2   0.109783D-01  0.372422D+01  0.275499D+01 -0.584657D+00  0.477537D+00
      3   0.465310D+01 -0.143034D+01 -0.187924D-01  0.279331D+01 -0.333426D+01
               351           352           353           354           355 
      1  -0.248939D+01 -0.241953D+00 -0.371527D+00 -0.298505D+01 -0.257556D+01
      2   0.510439D+00 -0.131628D+01 -0.439160D+00  0.463451D+01  0.262599D+01
      3  -0.128489D+00  0.292632D+02  0.770273D+01 -0.185200D+01  0.554465D+01
               356           357           358           359           360 
      1  -0.125234D+01 -0.110863D+01  0.107140D+01  0.342856D+00 -0.719498D+00
      2   0.101833D+01  0.118476D+01 -0.158308D+01 -0.901112D+00  0.905500D+00
      3   0.274702D+01  0.234674D+01 -0.468397D+01  0.945024D+00 -0.285394D+00
               361           362           363           364           365 
      1   0.372474D+01 -0.526765D+01 -0.145897D+01 -0.112270D+01  0.100032D+02
      2   0.526939D+01  0.111218D+01  0.148742D+02 -0.328310D+01 -0.630532D+01
      3   0.951302D+01 -0.331702D+02  0.117505D+01  0.749501D+01  0.336437D+02
               366           367           368           369           370 
      1  -0.549306D+01 -0.890776D+01  0.134033D+02  0.897008D+01  0.646679D-01
      2  -0.482627D+01 -0.100392D+01 -0.555120D+01 -0.116260D+02 -0.200720D+01
      3   0.280038D+01  0.892720D+01  0.151395D+02  0.197222D+02  0.985523D+00
               371           372           373           374           375 
      1   0.311016D+01 -0.411199D+00  0.133975D+00  0.588069D+01 -0.725311D+00
      2  -0.215482D+01 -0.821834D-01 -0.273373D+01 -0.430753D+01  0.539812D-01
      3   0.252989D+00  0.142884D+01  0.698806D+01  0.130612D+02 -0.588118D+00
               376           377           378 
      1   0.164982D+01  0.590752D+01 -0.797668D+00
      2  -0.177179D+01 -0.140091D+01 -0.478595D+00
      3  -0.100882D+01  0.381427D+01  0.236534D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.336950D+01 -0.422556D+01  0.312217D+01  0.142299D+01  0.134366D+00
      2  -0.201776D+01  0.209500D+01  0.296719D+01  0.195859D+01 -0.145712D+01
      3  -0.135175D+01  0.213056D+01 -0.608936D+01 -0.338158D+01  0.132275D+01
      4   0.373432D+00 -0.954313D+00  0.686093D+00 -0.647424D-01  0.515302D+00
      5  -0.806373D+01  0.805112D+01  0.272484D+01  0.769198D+01 -0.944766D+01
      6   0.396541D+01 -0.579196D+01 -0.431728D+00 -0.300654D+01  0.735066D+01
                 6             7             8             9            10 
      1  -0.376874D+01  0.220774D+01 -0.500477D+01  0.840539D+00 -0.131548D+02
      2  -0.477645D+01  0.153225D+01 -0.137187D+01 -0.183722D+01  0.159002D+02
      3   0.854520D+01 -0.373998D+01  0.637664D+01  0.996684D+00 -0.274540D+01
      4   0.427557D+00  0.202661D+01 -0.200833D+00  0.330790D+00  0.226580D+02
      5  -0.421883D+01  0.121864D+01 -0.106917D+01 -0.431954D+01 -0.279780D+02
      6   0.303554D+01 -0.380856D+00  0.228643D+01  0.411593D+01  0.130156D+02
                11            12            13            14            15 
      1   0.139699D+02  0.123303D+02 -0.143326D+02  0.820323D+01 -0.919179D+01
      2   0.137465D+01  0.364249D+02  0.189200D+02 -0.474914D+01  0.158960D+02
      3  -0.153445D+02 -0.487552D+02 -0.458740D+01 -0.345408D+01 -0.670418D+01
      4   0.162888D+01  0.761173D+01  0.851806D+01  0.173799D+02  0.880554D+01
      5   0.745758D+01  0.445902D+01 -0.146708D+02  0.101964D+01 -0.536658D+00
      6  -0.605268D+01  0.164311D+02  0.137256D+02  0.577170D+01  0.135706D+02
                16            17            18            19            20 
      1  -0.121737D+02  0.881429D+01 -0.385563D+01  0.206064D+02 -0.201439D+02
      2   0.353054D+02 -0.892430D+01  0.303193D+02 -0.164446D+02  0.102371D+02
      3  -0.231318D+02  0.110007D+00 -0.264637D+02 -0.416186D+01  0.990680D+01
      4   0.154325D+02  0.632634D+00  0.271471D+02 -0.276689D+02  0.682653D+01
      5  -0.147912D+02  0.177288D+02 -0.254245D+02  0.252310D+02 -0.220158D+02
      6   0.259244D+02 -0.123583D+02  0.226766D+02 -0.215958D+02  0.161845D+02
                21            22            23            24            25 
      1   0.181328D+02 -0.105975D+01  0.211544D+02  0.102838D+02  0.499430D+01
      2   0.367748D+01 -0.178222D+02 -0.135715D+02 -0.949248D+01 -0.211814D+02
      3  -0.218102D+02  0.188819D+02 -0.758286D+01 -0.791350D+00  0.161871D+02
      4  -0.186089D+02  0.139147D+02 -0.318905D+01  0.108136D+01 -0.177043D+02
      5   0.277846D+00  0.130589D+02  0.126404D+02  0.196592D+02  0.241429D+02
      6   0.132733D+00  0.763244D+01 -0.107767D+02 -0.592450D+01 -0.218068D+02
                26            27            28            29            30 
      1  -0.590881D+00 -0.257576D+02 -0.157535D+01  0.276701D+00 -0.330266D+01
      2   0.126340D+02 -0.480237D+02 -0.782184D+01 -0.130651D+01 -0.102281D+02
      3  -0.120431D+02  0.737813D+02  0.939719D+01  0.102981D+01  0.135308D+02
      4  -0.160165D+01 -0.180695D+02  0.396031D+00  0.255638D+01  0.631956D+00
      5  -0.176035D+02  0.932571D+01  0.644039D+01  0.351895D+01  0.123788D+02
      6   0.465269D+01 -0.455089D+02  0.101706D+01  0.171120D+01 -0.188313D+01
                31            32            33            34            35 
      1  -0.387024D+01 -0.126216D+02 -0.230189D+02 -0.469304D+01 -0.109903D+02
      2  -0.607306D+01 -0.119465D+02 -0.269416D+02 -0.108571D+02 -0.149291D+02
      3   0.994330D+01  0.245681D+02  0.499605D+02  0.155501D+02  0.259194D+02
      4   0.421153D+01  0.688700D+01  0.889756D+01  0.403041D+01  0.574169D+01
      5   0.510400D+01  0.595700D+01  0.908184D+01  0.110825D+02  0.889506D+01
      6   0.635013D+01  0.158144D+02  0.199019D+02  0.682623D+01  0.124753D+02
                36            37            38            39            40 
      1  -0.237841D+02  0.345667D+01  0.132545D+02 -0.867277D+01  0.348449D+02
      2  -0.324857D+02 -0.911036D+01 -0.219231D+02 -0.113633D+02 -0.194705D+02
      3   0.562697D+02  0.565369D+01  0.866860D+01  0.200360D+02 -0.153744D+02
      4   0.972556D+01  0.133367D+01  0.834751D+01  0.510953D+01 -0.361762D+02
      5   0.181386D+02 -0.239089D+01  0.138794D+02  0.238086D+01  0.196533D+02
      6   0.213934D+02  0.859196D+01 -0.128108D+01  0.590681D+01 -0.240981D+02
                41            42            43            44            45 
      1  -0.189155D+02  0.141459D+02 -0.193224D+02 -0.256229D+00 -0.457734D+02
      2   0.837428D+01  0.168401D+02  0.397306D-01  0.610965D+01 -0.165850D+02
      3   0.105412D+02 -0.309861D+02  0.192827D+02 -0.585342D+01  0.623584D+02
      4   0.118948D+02 -0.181726D+02 -0.344952D+02  0.209034D+02 -0.244974D+02
      5  -0.227422D+02 -0.565983D+01  0.917551D+01 -0.211763D+02  0.144728D+02
      6   0.204305D+02  0.468089D+01 -0.391189D+02  0.391491D+02 -0.508889D+02
                46            47            48            49            50 
      1   0.245708D+02 -0.130376D+01  0.933665D+01 -0.443883D+01  0.948992D+00
      2  -0.453585D+02  0.624262D+01 -0.372488D+02 -0.182335D+01 -0.238779D+01
      3   0.207878D+02 -0.493886D+01  0.279122D+02  0.626218D+01  0.143880D+01
      4  -0.254752D+02  0.920095D+01 -0.195646D+02  0.919672D+01 -0.330885D+01
      5   0.652213D+02 -0.112329D+02  0.547007D+02 -0.231716D+01  0.656362D+01
      6  -0.256519D+02  0.996097D+01 -0.246494D+02  0.663048D+01 -0.321861D+01
                51            52            53            54            55 
      1  -0.442093D+01  0.136945D+02 -0.284952D+00  0.694581D+01  0.172974D+02
      2  -0.662582D+01 -0.366399D+02  0.152682D+01 -0.350335D+02 -0.465495D+01
      3   0.110468D+02  0.229454D+02 -0.124186D+01  0.280877D+02 -0.126424D+02
      4   0.572348D+01 -0.124047D+02  0.402127D+01 -0.109415D+02  0.146422D+02
      5   0.214036D+01  0.480330D+02 -0.432541D+01  0.453395D+02 -0.195066D+01
      6   0.357671D+01 -0.142895D+02  0.504541D+01 -0.138202D+02  0.158628D+02
                56            57            58            59            60 
      1   0.375807D+01  0.156783D+02 -0.681221D+00 -0.211415D+02  0.218957D+02
      2  -0.484860D+01 -0.901297D+01  0.277207D+02  0.300127D+01  0.416574D+01
      3   0.109053D+01 -0.666535D+01 -0.270395D+02  0.181403D+02 -0.260615D+02
      4  -0.145353D+02  0.182852D+02  0.103662D+02 -0.480935D+01  0.296573D+02
      5   0.145905D+02  0.591823D+01 -0.254441D+02  0.227378D+02 -0.226281D+02
      6  -0.230270D+02  0.101233D+02  0.303385D+02 -0.385485D+02  0.431838D+02
                61            62            63            64            65 
      1  -0.139801D+02  0.300880D+02  0.115776D+02  0.121484D+02 -0.367491D+01
      2   0.293883D+02 -0.312375D+02  0.164984D+02  0.118409D+02 -0.172077D+02
      3  -0.154082D+02  0.114948D+01 -0.280760D+02 -0.239893D+02  0.208826D+02
      4   0.411888D+02  0.308703D+01  0.159305D+02 -0.459403D+02  0.421392D+02
      5  -0.220353D+02  0.159030D+02 -0.117667D+02  0.148308D+02 -0.129908D+02
      6   0.280399D+02  0.608564D-01  0.156733D+02 -0.198396D+02  0.216323D+02
                66            67            68            69            70 
      1  -0.111612D+00 -0.614936D+01 -0.160451D+01  0.138387D+01  0.232972D+01
      2   0.258294D+01 -0.207398D+02  0.315011D+02 -0.379766D+01 -0.388869D+01
      3  -0.247133D+01  0.268892D+02 -0.298966D+02  0.241378D+01  0.155897D+01
      4  -0.957791D+01  0.452726D+02 -0.478234D+02  0.559403D+01 -0.712851D+00
      5   0.709542D+01 -0.972615D+01  0.937305D+01 -0.435142D+01  0.609269D+01
      6  -0.898520D+01  0.178979D+02 -0.221581D+02  0.689872D+01 -0.491501D+01
                71            72            73            74            75 
      1  -0.211136D+01 -0.303657D+00 -0.260734D+02 -0.720985D+01 -0.248677D+02
      2   0.738492D+01  0.236935D+01 -0.230114D+02  0.112233D+02 -0.260592D+02
      3  -0.527356D+01 -0.206569D+01  0.490848D+02 -0.401345D+01  0.509268D+02
      4  -0.322702D+01 -0.538929D+01 -0.468491D+02  0.116075D+02 -0.354116D+02
      5  -0.416828D+01  0.188907D+01  0.213533D+02 -0.144568D+02  0.181432D+02
      6   0.306803D+01 -0.241567D+01 -0.393582D+02  0.428414D+01 -0.334077D+02
                76            77            78            79            80 
      1   0.392586D+02 -0.332417D+02  0.229155D+02 -0.392245D+00 -0.105561D+02
      2   0.444667D+02  0.489817D+02  0.853987D+02  0.121635D+02  0.213776D+02
      3  -0.837253D+02 -0.157400D+02 -0.108314D+03 -0.117713D+02 -0.108215D+02
      4   0.460826D+02 -0.268525D+02  0.436703D+02 -0.207934D+01 -0.861843D+01
      5  -0.435043D+02 -0.551376D+01 -0.420804D+02 -0.517548D+01 -0.891123D+01
      6   0.565914D+02 -0.270242D+01  0.669937D+02  0.405451D+01  0.153455D+02
                81            82            83            84            85 
      1  -0.630623D+01 -0.548457D+02  0.914684D+02 -0.981280D+01 -0.165914D+02
      2   0.389987D+02 -0.151967D+01 -0.881692D+02 -0.356285D+02 -0.142348D+02
      3  -0.326925D+02  0.563654D+02 -0.329924D+01  0.454413D+02  0.308262D+02
      4   0.506207D+00 -0.467529D+02  0.227368D+02 -0.219085D+02 -0.242344D+02
      5  -0.195676D+02  0.123945D+02  0.101306D+02  0.276637D+02  0.112744D+02
      6   0.118427D+02 -0.216748D+02 -0.120958D+02 -0.490820D+02 -0.103223D+02
                86            87            88            89            90 
      1  -0.834407D+01  0.436162D+01 -0.474810D+02  0.861830D+02 -0.305541D+02
      2   0.515877D+01 -0.481843D+02  0.818353D+00 -0.106112D+03 -0.241501D+02
      3   0.318531D+01  0.438226D+02  0.466626D+02  0.199294D+02  0.547042D+02
      4   0.292834D+02 -0.661279D+01 -0.164018D+02  0.144929D+02 -0.293305D+02
      5   0.488076D+01  0.192410D+02  0.289880D+02  0.523806D+01  0.237052D+02
      6  -0.211217D+02 -0.120283D+02 -0.464645D+02  0.309321D+02 -0.585914D+02
                91            92            93            94            95 
      1   0.662138D+02 -0.282650D+02  0.393874D+02 -0.778417D+01  0.344176D+01
      2   0.213849D+02  0.289681D+02  0.513781D+02 -0.495446D+02 -0.124014D+02
      3  -0.875987D+02 -0.703058D+00 -0.907655D+02  0.573287D+02  0.895962D+01
      4   0.617156D+02 -0.286069D+02  0.471473D+02 -0.338446D+02  0.223897D+01
      5  -0.370228D+02 -0.442205D+01 -0.304243D+02  0.280550D+02 -0.628983D+01
      6   0.555774D+02 -0.497249D+01  0.614655D+02 -0.473981D+02  0.143097D+01
                96            97            98            99           100 
      1  -0.750823D+01  0.300869D+02 -0.199971D+02  0.233934D+02 -0.375208D+02
      2  -0.636214D+02 -0.173761D+02  0.118362D+02 -0.740876D+01 -0.121528D+02
      3   0.711296D+02 -0.127108D+02  0.816098D+01 -0.159846D+02  0.496737D+02
      4  -0.424159D+02  0.971296D+01 -0.283805D+02  0.614125D+01 -0.335015D+02
      5   0.348112D+02 -0.735352D+00 -0.352881D+01 -0.435621D+01  0.348231D+01
      6  -0.494057D+02  0.439408D+01 -0.451730D+01  0.535848D+01 -0.267152D+02
               101           102           103           104           105 
      1  -0.166201D+02 -0.235643D+02 -0.118315D+03  0.161491D+03 -0.743074D+02
      2   0.325857D+01 -0.217003D+02  0.542551D+02 -0.125126D+03  0.310204D+02
      3   0.133615D+02  0.452646D+02  0.640602D+02 -0.363644D+02  0.432871D+02
      4   0.393880D+02 -0.242633D+02 -0.585693D+02 -0.187003D+02 -0.444006D+02
      5   0.178039D+02  0.146707D+02  0.528963D+00 -0.368652D+02 -0.227735D+01
      6   0.144260D+01 -0.257240D+02 -0.566478D+02  0.188896D+02 -0.311310D+02
               106           107           108           109           110 
      1  -0.883909D+02  0.708118D+02 -0.492752D+02 -0.123975D+02  0.581866D+02
      2   0.275048D+02 -0.513373D+02 -0.467451D+01  0.519666D+02 -0.684151D+02
      3   0.608861D+02 -0.194745D+02  0.539498D+02 -0.395690D+02  0.102285D+02
      4  -0.419036D+02  0.116897D+02 -0.327631D+02  0.610411D+02  0.346080D+02
      5   0.609019D+01 -0.777041D+01 -0.878131D+00  0.126232D+02  0.153821D+02
      6  -0.403884D+02  0.713542D+01 -0.368321D+02  0.393899D+02 -0.113956D+02
               111           112           113           114           115 
      1   0.311037D+02  0.148551D+03 -0.191172D+03  0.860139D+02  0.637352D+02
      2   0.135147D+01 -0.712022D+02  0.156568D+03 -0.227294D+02 -0.124574D+02
      3  -0.324552D+02 -0.773487D+02  0.346037D+02 -0.632845D+02 -0.512777D+02
      4   0.450990D+02  0.609169D+02 -0.161797D+02  0.380003D+02  0.449078D+02
      5   0.808286D+01 -0.714864D+01  0.303452D+02 -0.258073D+01  0.641173D+00
      6   0.231858D+02  0.554474D+02 -0.235335D+02  0.352790D+02  0.427775D+02
               116           117           118           119           120 
      1  -0.509298D+02  0.369113D+02  0.102206D+03 -0.155533D+03  0.482566D+02
      2   0.200547D+02 -0.194295D+01 -0.470496D+02  0.165918D+03 -0.702765D+00
      3   0.308751D+02 -0.349683D+02 -0.551561D+02 -0.103858D+02 -0.475538D+02
      4  -0.116548D+02  0.422747D+02  0.540188D+02 -0.525930D+02  0.167891D+02
      5   0.274106D+02 -0.102368D+01 -0.210712D+02 -0.622156D+01 -0.201346D+02
      6   0.146427D+01  0.365488D+02  0.266480D+02 -0.345399D+02  0.264692D+02
               121           122           123           124           125 
      1  -0.573702D+02  0.792233D+02 -0.189351D+02  0.506473D+02 -0.460333D+02
      2   0.512814D+02 -0.534769D+02  0.833761D+01 -0.365749D+02  0.405872D+02
      3   0.608879D+01 -0.257464D+02  0.105975D+02 -0.140724D+02  0.544607D+01
      4   0.107302D+02  0.313940D+02 -0.181189D+01  0.171896D+02 -0.414119D+02
      5   0.607194D+01 -0.120591D+02  0.660029D+01 -0.741238D+00 -0.535030D+01
      6  -0.118929D+02 -0.820464D+01 -0.151748D+02  0.244808D+02 -0.624707D+01
               126           127           128           129           130 
      1   0.106696D+02 -0.115629D+03  0.136652D+03 -0.395019D+02 -0.164897D+02
      2   0.370235D+01  0.732015D+02 -0.549033D+02  0.291780D+02  0.134087D+02
      3  -0.143719D+02  0.424273D+02 -0.817486D+02  0.103239D+02  0.308099D+01
      4   0.101666D+02 -0.774566D+01 -0.142238D+03 -0.596960D+01  0.246407D+01
      5  -0.190386D+02 -0.114585D+02 -0.981846D+02 -0.195361D+01 -0.115538D+02
      6   0.539771D+02 -0.180092D+02  0.275136D+01 -0.728495D+01  0.210591D+02
               131           132           133           134           135 
      1  -0.579864D+02  0.128360D+02 -0.310358D+02  0.206032D+02 -0.131166D+02
      2   0.655827D+02 -0.208727D+02  0.260101D+02  0.758586D+01  0.472801D+01
      3  -0.759632D+01  0.803677D+01  0.502569D+01 -0.281891D+02  0.838863D+01
      4  -0.493553D+02  0.134732D+02  0.670110D+01 -0.567953D+02  0.806480D+00
      5  -0.364677D+02  0.606019D+01 -0.132362D+02 -0.409107D+02 -0.811776D+01
      6  -0.950291D+01 -0.289240D+01  0.480809D-01  0.456305D+00  0.695521D+00
               136           137           138           139           140 
      1   0.138926D+03 -0.143492D+03  0.402975D+02 -0.379851D+02  0.625329D+02
      2  -0.784020D+02  0.581903D+02 -0.167209D+02  0.297143D+02 -0.902268D+02
      3  -0.605238D+02  0.853021D+02 -0.235766D+02  0.827071D+01  0.276939D+02
      4  -0.105840D+02  0.133446D+03 -0.685174D+01  0.582715D+02  0.752506D+02
      5   0.899332D+01  0.101879D+03 -0.629814D+01  0.178687D+02  0.519653D+02
      6   0.879128D+01  0.216833D+01  0.852034D+01  0.219405D+02 -0.148663D+01
               141           142           143           144           145 
      1  -0.217175D+01  0.482693D+01 -0.269275D+02  0.216012D+02  0.359820D+02
      2   0.403297D+01 -0.592976D+01 -0.460219D+01 -0.245516D+02  0.387195D+01
      3  -0.186122D+01  0.110283D+01  0.315297D+02  0.295044D+01 -0.398539D+02
      4   0.227986D+02  0.830540D+01  0.604208D+02  0.138130D+02  0.580892D+02
      5   0.820739D+01  0.326479D+02  0.527988D+02  0.131289D+02 -0.132941D+02
      6   0.722209D+01  0.180874D+02  0.114907D+01  0.688566D-01  0.174325D+02
               146           147           148           149           150 
      1  -0.282066D+02  0.466185D+01 -0.866041D+01  0.248849D+02 -0.331922D+02
      2   0.143447D+02 -0.251747D+01 -0.126956D+02  0.416098D+02  0.274006D+02
      3   0.138619D+02 -0.214438D+01  0.213560D+02 -0.664947D+02  0.579159D+01
      4   0.545919D+02  0.246477D+02 -0.657912D+02 -0.125272D+03 -0.424601D+02
      5   0.162941D+02  0.141713D+02 -0.360242D+02 -0.861459D+02 -0.284574D+02
      6   0.104819D+02  0.215642D+02 -0.477056D+02 -0.638370D+01 -0.287549D+02
               151           152           153           154           155 
      1  -0.236988D+02 -0.150959D+02  0.531754D+01 -0.501554D+02  0.152954D+02
      2  -0.131850D+02  0.238829D+02 -0.224255D+02 -0.900270D+01  0.475810D+02
      3   0.368838D+02 -0.878697D+01  0.171080D+02  0.591581D+02 -0.628764D+02
      4  -0.409755D+02 -0.271126D+02  0.494052D+01 -0.821078D+02 -0.436875D+02
      5   0.243224D+02 -0.216401D+02  0.256604D+02 -0.202677D+02 -0.556588D+02
      6   0.786437D+01  0.349295D+01  0.883858D+01 -0.544050D+02 -0.134491D+01
               156           157           158           159           160 
      1  -0.440819D+02  0.575475D+02 -0.113043D+02  0.373106D+02 -0.257580D+01
      2   0.195894D+02 -0.221326D+02 -0.252737D+00 -0.322653D+02 -0.229687D+02
      3   0.244925D+02 -0.354149D+02  0.115571D+02 -0.504537D+01  0.255445D+02
      4  -0.620108D+02  0.722511D+02  0.780729D+02  0.141209D+02 -0.309963D+02
      5  -0.274948D+02  0.184005D+02  0.267381D+02  0.177607D+02  0.684704D+01
      6  -0.402051D+02  0.173657D+02 -0.133691D+02  0.118285D+02 -0.155695D+02
               161           162           163           164           165 
      1  -0.136064D+02 -0.305139D+02 -0.942369D+02 -0.852294D+02 -0.258191D+01
      2  -0.135885D+02 -0.639847D+01  0.634589D+02  0.985418D+02  0.426115D+01
      3   0.271949D+02  0.369123D+02  0.307780D+02 -0.133124D+02 -0.167924D+01
      4  -0.280985D+02 -0.174732D+01  0.621370D+02 -0.131076D+02 -0.145466D+02
      5   0.151274D+02  0.147981D+02 -0.557480D+02 -0.629919D+02 -0.130306D+00
      6   0.241381D+02  0.456576D+01 -0.894808D+01  0.280665D+02  0.168153D+01
               166           167           168           169           170 
      1   0.806436D+02  0.490698D+02  0.103751D+01  0.251578D+02  0.117361D+02
      2  -0.607349D+02 -0.986215D+02  0.420890D+01 -0.201344D+02 -0.216139D+02
      3  -0.199087D+02  0.495517D+02 -0.524641D+01 -0.502336D+01  0.987785D+01
      4  -0.177843D+02  0.903538D+02 -0.972438D+01 -0.514929D+00  0.297949D+02
      5   0.351479D+02  0.798981D+02 -0.589219D+01  0.584739D+01  0.293326D+02
      6  -0.183855D+02 -0.114750D+02 -0.215640D+01 -0.520669D+00 -0.283798D+01
               171           172           173           174           175 
      1  -0.698382D+01  0.137063D+03  0.271872D+02 -0.531566D+01 -0.514847D+02
      2  -0.292415D+01 -0.863558D+02 -0.355640D+02  0.100400D+02  0.442976D+02
      3   0.990797D+01 -0.507077D+02  0.837677D+01 -0.472433D+01  0.718710D+01
      4   0.238476D+01 -0.833749D+02 -0.114683D+02 -0.551478D+01  0.616699D+00
      5   0.252418D+01  0.492828D+02  0.481568D+02 -0.934840D+01 -0.566148D+02
      6  -0.206689D+01 -0.162311D+02 -0.844424D+01 -0.245669D+01  0.245819D+01
               176           177           178           179           180 
      1  -0.105090D+03 -0.576541D+01  0.175221D+01 -0.238064D+02 -0.126180D+01
      2   0.168611D+03  0.117972D+02  0.843393D+01  0.426137D+02  0.193176D+01
      3  -0.635211D+02 -0.603182D+01 -0.101861D+02 -0.188073D+02 -0.669958D+00
      4  -0.103455D+03 -0.654590D+01 -0.836279D+01 -0.236223D+02 -0.196933D+02
      5  -0.112578D+03  0.130195D+01  0.240246D+01 -0.428689D+02 -0.103556D+02
      6   0.454492D+02  0.218225D+01 -0.144363D+02  0.271541D+02 -0.386086D+00
               181           182           183           184           185 
      1  -0.792897D+02  0.607669D+01  0.432695D+01 -0.154795D+03  0.347073D+02
      2   0.434576D+02 -0.139240D+02 -0.671640D+01  0.109746D+03 -0.239298D+02
      3   0.358321D+02  0.784734D+01  0.238945D+01  0.450494D+02 -0.107774D+02
      4   0.559483D+02  0.222573D+02  0.133297D+02  0.507785D+02 -0.307372D+02
      5  -0.301391D+02 -0.115614D+02  0.120802D+02 -0.369483D+02 -0.213976D+02
      6   0.170981D+02 -0.511941D+01 -0.231758D+01  0.269828D+02 -0.116952D+02
               186           187           188           189           190 
      1  -0.147559D+02 -0.772684D+02  0.267015D+02  0.184832D+02  0.743466D+00
      2   0.592887D+01  0.541185D+02 -0.258901D+02 -0.154917D+02 -0.423837D+01
      3   0.882700D+01  0.231499D+02 -0.811458D+00 -0.299141D+01  0.349490D+01
      4   0.330100D+02  0.159654D+02  0.129536D+02 -0.185344D+02 -0.338992D+01
      5  -0.160524D+02  0.311558D+02 -0.529805D+02 -0.157644D+02 -0.125622D+02
      6   0.130866D+02 -0.446682D+01  0.180553D+02 -0.214214D+01  0.109739D+01
               191           192           193           194           195 
      1   0.487275D+02 -0.243016D+02  0.170828D+03 -0.106293D+03 -0.161040D+01
      2  -0.406301D+02  0.125619D+02 -0.106752D+03  0.748206D+02  0.110402D+02
      3  -0.809741D+01  0.117397D+02 -0.640754D+02  0.314728D+02 -0.942979D+01
      4   0.169665D+02  0.485170D+01 -0.824223D+02  0.593979D+02 -0.281539D+02
      5  -0.419925D+01  0.142981D+02 -0.154449D+02  0.447049D+02  0.195924D+01
      6  -0.143384D+01  0.114888D+01 -0.183100D+02  0.732992D+01 -0.387736D+01
               196           197           198           199           200 
      1   0.127693D+02 -0.334203D+02  0.236074D+02  0.403776D+02  0.509484D+02
      2  -0.151410D+02  0.205380D+02 -0.246275D+02 -0.417945D+02 -0.506059D+02
      3   0.237168D+01  0.128823D+02  0.102015D+01  0.141696D+01 -0.342463D+00
      4  -0.468433D+02  0.921576D+01 -0.110395D+02 -0.322589D+02 -0.150855D+02
      5   0.515954D+02  0.239561D+02  0.244819D+02  0.257727D+02  0.345157D+02
      6  -0.170384D+02  0.214707D+01 -0.128601D+02  0.755897D+01 -0.181871D+02
               201           202           203           204           205 
      1  -0.432743D+01  0.883243D-01  0.283802D+02  0.904080D+01  0.306962D+01
      2  -0.114114D+01  0.232843D+02 -0.397121D+02 -0.177760D+02  0.984008D+01
      3   0.546857D+01 -0.233727D+02  0.113319D+02  0.873524D+01 -0.129097D+02
      4   0.118380D+02 -0.134808D+03 -0.301093D+02  0.307966D+02 -0.546313D+02
      5   0.386770D+01  0.481103D+02  0.109692D+02 -0.103795D+02  0.221956D+02
      6  -0.607858D+01  0.259888D+02 -0.822286D+01 -0.445032D+01  0.103322D+02
               206           207           208           209           210 
      1   0.746587D+01  0.341962D+01  0.906041D+01  0.123484D+03  0.179097D+02
      2  -0.667853D+01 -0.125469D+02 -0.125372D+02 -0.155422D+03 -0.115903D+02
      3  -0.787331D+00  0.912724D+01  0.347676D+01  0.319380D+02 -0.631941D+01
      4  -0.609834D+01  0.898650D+01 -0.520523D+02  0.360312D+02  0.217630D+02
      5   0.679847D+00  0.466768D+00  0.481642D+02  0.576073D+02  0.118748D+02
      6  -0.450354D+00 -0.617556D+01  0.484942D+01 -0.392282D+02 -0.287773D+02
               211           212           213           214           215 
      1   0.139790D+02  0.811403D+02  0.518334D+01 -0.632738D+01  0.239137D+02
      2  -0.279365D+02 -0.123164D+03 -0.858638D+01  0.203028D+02 -0.452178D+02
      3   0.139574D+02  0.420232D+02  0.340303D+01 -0.139755D+02  0.213040D+02
      4   0.420737D+01  0.559191D+02  0.230722D+02 -0.357205D+01  0.265961D+02
      5   0.274485D+02  0.822870D+02  0.242165D+01  0.367117D+02  0.129195D+02
      6   0.144046D+02 -0.456797D+02 -0.552932D+01 -0.383378D+02  0.554949D+01
               216           217           218           219           220 
      1  -0.435795D+01  0.179460D+02 -0.911918D+02 -0.147463D+02 -0.223547D+02
      2  -0.240308D+01 -0.302724D+02  0.121176D+03  0.152025D+02  0.253797D+02
      3   0.676103D+01  0.123264D+02 -0.299839D+02 -0.456164D+00 -0.302495D+01
      4  -0.268136D+02  0.121450D+03 -0.477589D+02 -0.436255D+02 -0.102549D+02
      5  -0.101194D+02 -0.575010D+02 -0.635079D+02 -0.625201D+01  0.140912D+02
      6   0.103344D+02 -0.231489D+02  0.345594D+02  0.267451D+02  0.304874D+01
               221           222           223           224           225 
      1  -0.215492D+02  0.161987D+02 -0.121676D+02  0.769034D+01 -0.265362D+02
      2   0.351147D+02 -0.252869D+02  0.569061D+01 -0.348533D+02  0.150481D+02
      3  -0.135656D+02  0.908810D+01  0.647694D+01  0.271630D+02  0.114881D+02
      4  -0.314936D+02  0.553470D+01 -0.102924D+02 -0.128883D+01  0.223908D+01
      5  -0.759592D+01 -0.593440D+01  0.562269D+01 -0.165556D+02 -0.123285D+02
      6  -0.210985D+02  0.452587D+01  0.205388D+02  0.471593D+02  0.172241D+02
               226           227           228           229           230 
      1  -0.686771D+02  0.927411D+01  0.124865D+02  0.117088D+02 -0.429142D+02
      2   0.650062D+02 -0.993618D+01 -0.140015D+02 -0.346955D+02  0.606638D+02
      3   0.367084D+01  0.662070D+00  0.151495D+01  0.229867D+02 -0.177496D+02
      4  -0.238299D+02  0.361687D+02  0.244248D+02  0.139711D+03  0.288064D+02
      5   0.172852D+02  0.105860D+02 -0.723363D+01 -0.597101D+02 -0.196522D+02
      6   0.152479D+02 -0.474769D+01 -0.499414D+01 -0.298391D+02  0.117167D+02
               231           232           233           234           235 
      1  -0.568589D+01  0.102009D+02 -0.465399D+01 -0.192312D+02  0.516645D+02
      2   0.246697D+02 -0.172779D+02  0.752692D+01  0.180977D+02 -0.440885D+02
      3  -0.189838D+02  0.707694D+01 -0.287293D+01  0.113347D+01 -0.757596D+01
      4  -0.333272D+02  0.492702D+02  0.917154D+01 -0.135670D+02 -0.347472D+02
      5   0.109908D+02 -0.244154D+02 -0.486842D+01  0.881177D+01 -0.384452D+01
      6   0.707507D+01 -0.123790D+02  0.170940D+02  0.824408D+01 -0.954338D+00
               236           237           238           239           240 
      1  -0.108527D+01 -0.152876D+02 -0.466307D+01  0.191142D+01  0.158912D+02
      2  -0.146739D+02  0.775050D+01  0.849539D+01  0.544172D+01 -0.211864D+02
      3   0.157591D+02  0.753709D+01 -0.383232D+01 -0.735313D+01  0.529517D+01
      4  -0.664431D+02 -0.132734D+02  0.343552D+02  0.197983D+02 -0.981086D+01
      5  -0.944921D+01 -0.321338D+01  0.367555D+01 -0.922590D+01  0.535121D+00
      6   0.107797D+02  0.158844D+00 -0.836727D+01 -0.250844D+02  0.635401D+01
               241           242           243           244           245 
      1  -0.949959D+01  0.193699D+02 -0.942965D+01 -0.569397D+01 -0.295985D+02
      2   0.675473D+01 -0.253582D+02  0.854841D+01 -0.281964D+01  0.398740D+02
      3   0.274485D+01  0.598835D+01  0.881235D+00  0.851361D+01 -0.102755D+02
      4   0.274369D+02  0.118276D+02  0.151096D+02  0.343692D+02  0.431363D+02
      5   0.105540D+02  0.121253D+02  0.107327D+02 -0.154877D+02  0.627412D+01
      6   0.864170D+01  0.214958D+02  0.132763D+02 -0.897400D+00  0.573040D+00
               246           247           248           249           250 
      1  -0.554175D+01  0.532109D+02 -0.179027D+02 -0.224616D+02  0.407655D+02
      2   0.966822D+01 -0.571465D+02  0.208910D+01  0.179622D+02 -0.394066D+02
      3  -0.412647D+01  0.393556D+01  0.158136D+02  0.449944D+01 -0.135891D+01
      4   0.472248D+01 -0.187040D+02 -0.487628D+02 -0.267919D+02 -0.203515D+02
      5   0.221068D+02 -0.446395D+02 -0.145430D+02  0.791583D+01  0.150092D+02
      6   0.138619D+02 -0.238487D+02 -0.321483D+01  0.509599D+01  0.179677D+02
               251           252           253           254           255 
      1   0.308436D+01 -0.790673D+01  0.729517D+01  0.216969D+02 -0.400680D+01
      2  -0.147335D+02  0.230879D+01 -0.143891D+02  0.423331D+01  0.536859D+01
      3   0.116491D+02  0.559793D+01  0.709395D+01 -0.259303D+02 -0.136180D+01
      4  -0.436496D+02  0.127293D+02  0.792899D+02  0.236902D+02 -0.875401D+01
      5   0.462266D+01 -0.782737D+01 -0.172564D+02  0.372657D+01 -0.330349D+01
      6   0.185218D+02 -0.105796D+02 -0.437312D+01  0.747751D+01  0.479590D+01
               256           257           258           259           260 
      1  -0.298858D+02  0.808565D+01  0.959075D+01 -0.677420D+01 -0.337456D+01
      2   0.362582D+02  0.201159D+01  0.171049D+01  0.142972D+02  0.549401D+01
      3  -0.637243D+01 -0.100972D+02 -0.113012D+02 -0.752299D+01 -0.211946D+01
      4  -0.470621D+01  0.481057D+02  0.165923D+02 -0.211829D+02  0.119616D+02
      5   0.688124D+01  0.145809D+02  0.104060D+02  0.156324D+02  0.982256D+01
      6   0.141124D+02 -0.241738D+01 -0.332939D+01  0.188198D+02  0.268542D+01
               261           262           263           264           265 
      1   0.497511D+01 -0.364799D+02 -0.134466D+02  0.116421D+02 -0.120557D+02
      2  -0.725010D+01  0.466370D+02 -0.396508D+01 -0.227973D+02  0.855511D+01
      3   0.227499D+01 -0.101571D+02  0.174117D+02  0.111552D+02  0.350058D+01
      4   0.160756D+02 -0.800828D+02 -0.275063D+02  0.602612D+01  0.125531D+02
      5  -0.203886D+01  0.399620D+02 -0.201568D+02 -0.145337D+02  0.161550D+02
      6  -0.128492D+02  0.483585D+01  0.251952D+01 -0.324962D+01 -0.191748D+01
               266           267           268           269           270 
      1   0.919689D+01  0.715150D+01 -0.628232D+00  0.874975D+01 -0.994731D+01
      2  -0.168800D+02 -0.768564D+01 -0.135189D+01 -0.456871D+01 -0.969445D+01
      3   0.768311D+01  0.534136D+00  0.198013D+01 -0.418103D+01  0.196418D+02
      4  -0.101523D+02 -0.574387D+00  0.156692D+02  0.854769D+01 -0.911074D+01
      5   0.381900D+01 -0.913284D+01  0.199691D+01 -0.702786D+01  0.131087D+01
      6  -0.704937D+01  0.169856D+00 -0.249193D+01  0.529160D+00 -0.888264D+01
               271           272           273           274           275 
      1  -0.941263D+01  0.214170D+02 -0.162244D+01  0.154482D+02 -0.360615D+02
      2   0.301489D+02 -0.504896D+02 -0.351207D+00 -0.364025D+02  0.772997D+02
      3  -0.207362D+02  0.290726D+02  0.197365D+01  0.209543D+02 -0.412383D+02
      4  -0.320749D+02  0.428354D+02  0.163347D+01  0.310157D+02 -0.478305D+02
      5  -0.246502D+01  0.381647D+01  0.323207D+01  0.565447D+01 -0.780621D+01
      6  -0.357634D+01  0.571261D+01 -0.687570D+01 -0.367985D+01  0.292134D+01
               276           277           278           279           280 
      1  -0.426063D+01  0.210751D+01 -0.877485D+01 -0.208670D+01 -0.173842D+01
      2   0.653428D+01 -0.627152D+01  0.142264D+02  0.205993D+01  0.517866D+01
      3  -0.227365D+01  0.416401D+01 -0.545157D+01  0.267684D-01 -0.344024D+01
      4  -0.537110D+01 -0.398163D+01 -0.429415D+00 -0.614195D+01  0.741868D+01
      5  -0.254899D+01  0.266795D+01 -0.364768D+01 -0.105328D+00  0.128943D+01
      6   0.503884D+01 -0.474024D+01  0.630570D+01  0.160273D+01  0.854932D+01
               281           282           283           284           285 
      1  -0.796470D+01 -0.381170D+01 -0.659319D+01 -0.582575D+02 -0.291850D+02
      2   0.109636D+02  0.535686D+01  0.947330D+01  0.917056D+02  0.391551D+02
      3  -0.299891D+01 -0.154516D+01 -0.288011D+01 -0.334480D+02 -0.997012D+01
      4   0.135097D+02  0.971051D+01  0.758240D+01  0.243896D+02  0.993314D+01
      5   0.387957D+01  0.271202D+01  0.174010D+01 -0.105887D+01 -0.210026D+00
      6   0.936973D+01  0.104796D+02  0.531793D+01  0.484186D+02  0.322971D+02
               286           287           288           289           290 
      1  -0.544770D+01 -0.311694D+02 -0.207980D+02  0.102958D+03  0.248529D+02
      2   0.117033D+02  0.448260D+02  0.257620D+02 -0.643721D+02 -0.134623D+02
      3  -0.625563D+01 -0.136567D+02 -0.496394D+01 -0.385862D+02 -0.113906D+02
      4   0.104348D+02  0.184642D+02  0.119268D+02  0.620650D+02  0.238022D+02
      5   0.185471D+01  0.181607D+01  0.329215D+01  0.556966D+02  0.139342D+02
      6   0.462926D+01  0.343362D+02  0.219209D+02  0.167274D+02  0.673468D+01
               291           292           293           294           295 
      1   0.374356D+02  0.633971D+01  0.141034D+02  0.455285D+01  0.369588D+02
      2  -0.279733D+02 -0.182479D+01 -0.515531D+01 -0.317698D+01 -0.215875D+02
      3  -0.946222D+01 -0.451492D+01 -0.894810D+01 -0.137587D+01 -0.153713D+02
      4   0.242946D+02  0.235443D+02  0.125118D+02  0.112992D+02  0.273707D+02
      5   0.321059D+02  0.118771D+02  0.608516D+01  0.806256D+01  0.230442D+02
      6   0.975270D+01  0.918776D+01  0.407751D+01  0.647586D+01  0.718794D+01
               296           297           298           299           300 
      1   0.790509D+01  0.150014D+02  0.308170D+00  0.523947D+01 -0.105616D+01
      2  -0.462772D+01 -0.107309D+02  0.475461D+01  0.103681D+01  0.153379D+01
      3  -0.327737D+01 -0.427047D+01 -0.506278D+01 -0.627628D+01 -0.477631D+00
      4   0.949880D+01  0.118209D+02  0.189588D+02  0.241384D+02  0.145262D+02
      5   0.917968D+01  0.142744D+02  0.899620D+01  0.124244D+02  0.102309D+02
      6   0.511951D+01  0.486383D+01  0.101336D+02  0.130851D+02  0.860656D+01
               301           302           303           304           305 
      1  -0.605459D+01 -0.341668D+02 -0.165886D+02 -0.562275D+01 -0.919470D+01
      2   0.174437D+02  0.529228D+02  0.204159D+02  0.832189D+01  0.216826D+02
      3  -0.113891D+02 -0.187559D+02 -0.382731D+01 -0.269915D+01 -0.124879D+02
      4   0.329011D+02  0.661906D+02  0.330146D+02  0.217769D+02  0.401163D+02
      5   0.118615D+02  0.255343D+02  0.166539D+02  0.115068D+02  0.136121D+02
      6   0.192044D+02  0.501254D+02  0.306178D+02  0.135008D+02  0.261534D+02
               306           307           308           309           310 
      1  -0.836738D+01  0.748005D+02 -0.423969D+02 -0.362757D+01 -0.418794D+02
      2   0.896761D+01 -0.277969D+02  0.133359D+02  0.199773D+01  0.731324D+01
      3  -0.600231D+00 -0.470035D+02  0.290610D+02  0.162984D+01  0.345661D+02
      4   0.200138D+02 -0.737885D+02  0.503812D+02  0.181079D+01  0.644366D+02
      5   0.125363D+02 -0.100140D+02  0.235745D+01  0.814115D+01  0.101417D+02
      6   0.205175D+02 -0.113169D+01  0.166409D+01 -0.368515D+01 -0.153991D+01
               311           312           313           314           315 
      1   0.295787D+02  0.450298D+01 -0.502169D+01  0.223740D+01  0.122502D+01
      2   0.127691D+01 -0.201138D+01  0.446099D+00  0.166404D+01 -0.361540D+00
      3  -0.308556D+02 -0.249160D+01  0.457559D+01 -0.390144D+01 -0.863475D+00
      4  -0.587662D+02 -0.592802D+01  0.110434D+02 -0.121436D+02 -0.255179D+01
      5  -0.126273D+02 -0.712606D+01  0.511106D+01  0.105234D+01 -0.898859D+00
      6   0.258182D+01  0.435324D+01 -0.201567D+01  0.536990D+00  0.212818D+01
               316           317           318           319           320 
      1   0.158490D+03  0.855101D+01  0.305748D+02  0.190175D+02  0.106792D+02
      2  -0.978494D+02 -0.557147D+01 -0.215816D+02 -0.130784D+02 -0.672547D+01
      3  -0.606403D+02 -0.297955D+01 -0.899313D+01 -0.593909D+01 -0.395368D+01
      4   0.100048D+01  0.725246D+01 -0.104695D+01  0.181149D+02  0.533585D+01
      5   0.419471D+02  0.191422D+01  0.197338D+02  0.105838D+02  0.817093D+01
      6  -0.631060D+01  0.842850D+00 -0.223268D+01  0.173195D+01 -0.534578D+00
               321           322           323           324           325 
      1   0.683984D+01  0.432754D+02  0.454078D+01  0.110518D+02  0.174776D+02
      2  -0.557884D+01 -0.289279D+02 -0.202675D+01 -0.812347D+01  0.129206D+02
      3  -0.126100D+01 -0.143475D+02 -0.251403D+01 -0.292835D+01 -0.303983D+02
      4   0.392451D+01  0.387293D+01  0.245109D+01  0.323004D+00 -0.679730D+02
      5   0.463891D+01  0.144624D+02 -0.291284D+01  0.695554D+01 -0.150215D+02
      6   0.122403D+01 -0.908222D+00  0.206748D+01  0.836574D+00  0.110958D+02
               326           327           328           329           330 
      1  -0.527041D+01 -0.272844D+01  0.392709D+01 -0.829466D+01 -0.221954D+01
      2  -0.226773D+02 -0.293658D+01 -0.267736D+02  0.399425D+02  0.760269D+01
      3   0.279477D+02  0.566502D+01  0.228465D+02 -0.316478D+02 -0.538315D+01
      4   0.607142D+02  0.160254D+02  0.508209D+02 -0.645239D+02 -0.168342D+02
      5   0.145666D+02  0.971477D+01  0.141546D+02 -0.130489D+02 -0.812016D+01
      6  -0.123920D+02 -0.824306D+01 -0.147784D+02  0.159047D+02  0.109544D+02
               331           332           333           334           335 
      1   0.489268D+00 -0.429900D+00  0.114012D-01 -0.745723D+01 -0.159861D+02
      2  -0.983132D+01  0.622823D+01  0.289100D+01  0.110946D+02  0.213293D+02
      3   0.934206D+01 -0.579833D+01 -0.290240D+01 -0.363733D+01 -0.534323D+01
      4   0.159914D+02 -0.164717D+02 -0.581423D+01  0.428781D+01  0.158941D+02
      5   0.421410D+01 -0.644905D+01 -0.385388D+01 -0.105762D+01  0.235333D+01
      6  -0.161585D+01  0.828130D+01  0.367909D+01  0.423933D+01  0.668741D+01
               336           337           338           339           340 
      1  -0.388676D+01 -0.361778D+01 -0.844226D+02 -0.241904D+02 -0.308853D+00
      2   0.466334D+01  0.368929D+01  0.125555D+03  0.310095D+02  0.258795D+01
      3  -0.776582D+00 -0.715058D-01 -0.411321D+02 -0.681907D+01 -0.227910D+01
      4   0.319495D+01  0.658004D+01 -0.126045D+02 -0.362408D+01  0.102347D+00
      5   0.250535D+01  0.954406D+00 -0.592898D+01 -0.312097D+01  0.321906D+01
      6   0.331007D+01  0.280389D+01  0.477156D+02  0.221442D+02 -0.298123D+01
               341           342           343           344           345 
      1  -0.290702D+02 -0.901734D+01 -0.324455D+01 -0.621174D+01 -0.106089D+01
      2   0.432161D+02  0.115007D+02  0.118360D+02  0.177052D+02  0.327314D+01
      3  -0.141458D+02 -0.248341D+01 -0.859142D+01 -0.114935D+02 -0.221226D+01
      4  -0.718367D+01 -0.135930D+01  0.140212D+02  0.251470D+02  0.583183D+01
      5  -0.956769D+00 -0.142172D+00  0.214379D+01  0.471706D+01  0.379961D+01
      6   0.159012D+02  0.100340D+02  0.449250D+01  0.385884D+01  0.270739D+01
               346           347           348           349           350 
      1  -0.141026D+02 -0.565827D+02 -0.153232D+02 -0.334956D+01 -0.204085D+02
      2   0.273492D+02  0.971946D+02  0.228265D+02  0.586422D+01  0.314555D+02
      3  -0.132465D+02 -0.406120D+02 -0.750328D+01 -0.251466D+01 -0.110470D+02
      4   0.222752D+02  0.516211D+02  0.143460D+02  0.677883D+01  0.156266D+02
      5   0.606956D+01  0.136544D+02  0.627583D+01  0.188083D+01  0.471798D+01
      6   0.946974D+01  0.284978D+02  0.163206D+02  0.403713D+01  0.138958D+02
               351           352           353           354           355 
      1  -0.817645D+01  0.502992D+02  0.191543D+02 -0.100796D+01  0.995870D+01
      2   0.106015D+02 -0.134729D+02  0.663014D+00  0.829905D+00  0.508289D+01
      3  -0.242504D+01 -0.368263D+02 -0.198173D+02  0.178056D+00 -0.150416D+02
      4   0.516751D+01  0.719294D+02  0.411074D+02 -0.188882D+01  0.311864D+02
      5   0.260746D+01 -0.321395D+01 -0.977462D+00  0.727092D+01  0.274511D+01
      6   0.791489D+01 -0.594258D+01 -0.353617D+01  0.488421D+01  0.108521D+01
               356           357           358           359           360 
      1   0.561949D+01  0.747628D+00 -0.377233D+01 -0.814401D+00  0.215446D+01
      2   0.690684D+01 -0.399001D+00  0.479062D+01  0.224660D+01 -0.417601D+00
      3  -0.125263D+02 -0.348626D+00 -0.101829D+01 -0.143220D+01 -0.173686D+01
      4   0.252688D+02  0.210768D+01  0.154879D+01  0.429258D+01  0.272499D+01
      5   0.128332D+01  0.210638D+01  0.222609D+01  0.192092D+01  0.190338D+01
      6  -0.111061D+01  0.188708D+01  0.404274D+00  0.135044D+01  0.119758D+01
               361           362           363           364           365 
      1   0.129043D+03 -0.162316D+02 -0.269140D+02 -0.958358D+01  0.220272D+02
      2  -0.786063D+02  0.946236D+01  0.207124D+02  0.619737D+01 -0.146505D+02
      3  -0.504365D+02  0.676919D+01  0.620164D+01  0.338621D+01 -0.737672D+01
      4  -0.135940D+02  0.314317D+02  0.552353D+01  0.664434D+02 -0.208204D+02
      5  -0.507589D+02  0.863503D+01  0.413793D+02  0.568232D+01 -0.259495D+02
      6   0.192846D+01 -0.809192D+01 -0.125694D+01 -0.224459D+02  0.744213D+01
               366           367           368           369           370 
      1  -0.149189D+01  0.131286D+01 -0.102426D+01  0.609582D+01 -0.295412D+01
      2  -0.507812D+01  0.226688D+02 -0.413562D+01 -0.465287D+02  0.159704D+01
      3   0.657001D+01 -0.239817D+02  0.515989D+01  0.404329D+02  0.135709D+01
      4  -0.264370D+02  0.940664D+01 -0.130105D+02 -0.261457D+01 -0.184485D+01
      5  -0.124408D+02  0.623949D+02 -0.131391D+02 -0.519439D+02  0.399351D+01
      6   0.230844D+02 -0.135046D+01  0.155137D+02 -0.331922D+01  0.618162D+00
               371           372           373           374           375 
      1  -0.841527D+00  0.110606D+01 -0.364678D+01 -0.611660D+01 -0.105647D+01
      2  -0.172994D+01 -0.112202D+01  0.213489D+01 -0.296095D+01 -0.342912D+01
      3   0.257147D+01  0.159556D-01  0.151190D+01  0.907755D+01  0.448559D+01
      4  -0.135369D+01  0.114128D+01 -0.633471D+00 -0.436285D+01 -0.348116D+00
      5   0.341359D+01 -0.141380D+01  0.306466D+01  0.373611D+01 -0.308138D+01
      6  -0.866263D+00 -0.111000D+00 -0.558879D-01  0.559204D+00  0.158233D+01
               376           377           378 
      1  -0.147398D+01 -0.595063D+00 -0.393211D+01
      2   0.138153D+01 -0.211658D+01 -0.170757D+01
      3   0.924478D-01  0.271164D+01  0.563968D+01
      4   0.124271D+01 -0.508525D+00 -0.130572D+01
      5   0.186788D+01  0.508243D+00  0.512222D-01
      6  -0.834283D+00  0.191020D+01  0.162839D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.671122D+00      0.170582D+01      0.569001D+01
   x         -0.557213D+00     -0.141629D+01     -0.472425D+01
   y          0.219256D+00      0.557294D+00      0.185893D+01
   z          0.303060D+00      0.770301D+00      0.256945D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.334585D+03      0.495804D+02      0.551657D+02
   aniso      0.203899D+03      0.302147D+02      0.336184D+02
   xx         0.408147D+03      0.604811D+02      0.672943D+02
   yx        -0.187080D+02     -0.277224D+01     -0.308454D+01
   yy         0.373843D+03      0.553977D+02      0.616383D+02
   zx         0.412699D+02      0.611557D+01      0.680449D+01
   zy         0.443260D+02      0.656844D+01      0.730837D+01
   zz         0.221767D+03      0.328624D+02      0.365644D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.371172D+03      0.550020D+02      0.611980D+02
   aniso      0.222428D+03      0.329604D+02      0.366734D+02
   xx         0.451325D+03      0.668795D+02      0.744135D+02
   yx        -0.184933D+02     -0.274043D+01     -0.304914D+01
   yy         0.416204D+03      0.616750D+02      0.686227D+02
   zx         0.465362D+02      0.689595D+01      0.767278D+01
   zy         0.438390D+02      0.649626D+01      0.722807D+01
   zz         0.245987D+03      0.364515D+02      0.405577D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     1          2.79196355         -1.07561988          3.00987757
     6          3.05784515         -2.12078621          1.28108022
     6          5.45194560         -2.35788217          0.30595923
     1          7.02734984         -1.48296848          1.27275286
     6          5.86551080         -3.73053220         -1.92546961
     1          7.74848324         -3.87224434         -2.71019780
     6          3.87669022         -4.94926378         -3.05876068
     1          4.17624459         -6.09477732         -4.72815843
     6          1.41396040         -4.78932325         -2.05347930
     6         -0.58772633         -6.26479260         -3.08557277
     6          0.94911290         -3.23468306          0.08904140
     6         -1.61142676         -2.97757134          1.02531161
     6         -3.40825362         -4.77294159          0.19959592
     6         -2.86791259         -6.34477666         -1.92257656
     6         -2.40145093         -1.11972869          2.86239486
     6         -4.52302692         -1.72735784          4.39124992
     6         -6.16761156         -3.71814195          3.66677280
     6         -5.71980214         -5.06798089          1.52804964
     6         -1.22947064          1.31178496          3.27042409
     6         -1.59558337          2.51608215          5.62652975
     6         -3.46051330          1.60208278          7.32454918
     6         -4.99502516         -0.33897283          6.63735252
     6          0.14865252          2.70130888          1.35547254
     6         -0.15283189          4.69992337          6.26939006
     6          1.47301235          5.75907498          4.59693573
     6          1.59578768          4.85025624          2.06739599
     6          3.04307702          6.12620211          0.22849615
     6          3.00462731          5.41167392         -2.26362180
     6          1.42300841          3.40876644         -2.97113203
     6          0.01814327          2.09614859         -1.23730961
     1         -0.21096727         -7.41452969         -4.73578272
     1         -4.33981436         -7.59839982         -2.59343647
     1         -7.82408809         -4.08134985          4.81174185
     1         -7.04715820         -6.48538651          0.88337884
     1         -3.72768538          2.57382651          9.10510582
     1         -6.56224655         -0.90835616          7.82346483
     1         -0.38419493          5.49018032          8.14283608
     1          2.60437713          7.38289880          5.11657778
     1          4.17580845          7.72849596          0.81014142
     1          4.11667413          6.39461279         -3.66514844
    35          1.23001063          2.48674964         -6.45484439
     1         -1.19958258          0.59600273         -1.87213581

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.671122D+00      0.170582D+01      0.569001D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.671122D+00      0.170582D+01      0.569001D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.334585D+03      0.495804D+02      0.551657D+02
   aniso      0.203899D+03      0.302147D+02      0.336184D+02
   xx         0.324536D+03      0.480913D+02      0.535088D+02
   yx         0.655757D+02      0.971731D+01      0.108120D+02
   yy         0.320459D+03      0.474871D+02      0.528366D+02
   zx        -0.751796D+02     -0.111405D+02     -0.123954D+02
   zy         0.588522D+02      0.872100D+01      0.970342D+01
   zz         0.358761D+03      0.531629D+02      0.591517D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.371172D+03      0.550020D+02      0.611980D+02
   aniso      0.222428D+03      0.329604D+02      0.366734D+02
   xx         0.359100D+03      0.532131D+02      0.592076D+02
   yx         0.702574D+02      0.104111D+02      0.115839D+02
   yy         0.360639D+03      0.534411D+02      0.594613D+02
   zx        -0.848888D+02     -0.125792D+02     -0.139963D+02
   zy         0.629709D+02      0.933133D+01      0.103825D+02
   zz         0.393777D+03      0.583517D+02      0.649250D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K08-25-01\Freq\RwB97XD\Gen\C26H15Br1\PIERPA\19-Jul-2021\0
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 NATURE GIVES TO EVERY TIME AND SEASON SOME BEAUTY OF ITS OWN.

                                                    --DICKENS
 Job cpu time:      17 days 12 hours 40 minutes  1.0 seconds.
 Elapsed time:       2 days  4 hours 47 minutes 32.8 seconds.
 File lengths (MBytes):  RWF=   2915 Int=      0 D2E=      0 Chk=     60 Scr=      2
 Normal termination of Gaussian 16 at Mon Jul 19 23:36:49 2021.
